Using entanglement entropy (EE) to probe the intrinsic physics of the novel phases and phase transitions in quantum many-body systems is an important but challenging topic in condensed matter physics. Thanks to our newly developed bipartite-reweight-annealing algorithm, we can systematically study EE behaviors near both first and second-order phase transition points of two-dimensional strongly correlated systems by scanning the EE across a large parameter region, which was super difficult previously due to the huge computation resources demanded. Interestingly, we find that the EE or its derivative diverges at the critical point, which essentially reveals the phase transition involving discrete or continuous symmetry breaking. What's more, we observe that the peak of the EE curve can detect first-order phase transitions at high symmetry breaking points, separating phases with lower symmetry broken. This behavior also applies to the symmetry-enhanced first-order phase transition in the two-dimensional chequerboard $J-Q$ model, where the emergent higher symmetry arises from the related deconfined criticality beyond the Landau-Ginzburg-Wilson paradigm. This work points to new phenomena and mechanisms that can help us better identify different phase transitions and the underlying symmetry breaking.
Fanjie Xu, Wentao Guo, Feng Wang, Lin Yao, Hongshuai Wang, Fujie Tang, Zhifeng Gao, Linfeng Zhang, Weinan E, Zhong-Qun Tian, Jun Cheng The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships. Herein, we introduce NMRNet, a deep learning framework using the SE(3) Transformer for atomic environment modeling, following a pre-training and fine-tuning paradigm. To support the evaluation of NMR chemical shift prediction models, we have established a comprehensive benchmark based on previous research and databases, covering diverse chemical systems. Applying NMRNet to these benchmark datasets, we achieve state-of-the-art performance in both liquid-state and solid-state NMR datasets, demonstrating its robustness and practical utility in real-world scenarios. This marks the first integration of solid and liquid state NMR within a unified model architecture, highlighting the need for domainspecific handling of different atomic environments. Our work sets a new standard for NMR prediction, advancing deep learning applications in analytical and structural chemistry.
In this paper, we investigate the spectral projection of density matrices in quantum field theory. With appropriate regularization, the spectral projectors of density matrices are expected to be well-defined. These projectors can be obtained using the Riesz projection formula, which allows us to compute both the density of eigenvalues and the expectation values of local operators in the projected states. We find that there are universal divergent terms in the expectation value of the stress energy tensor, where the coefficients depend universally on the density of eigenvalues and a function that describes the dependence of eigenvalues on boundary location. Using projection states, we can construct a series of new states in quantum field theories and discuss their general properties, focusing on the holographic aspects. We observe that quantum fluctuations are suppressed in the semiclassical limit. We also demonstrate that the fixed area state, previously constructed using gravitational path integrals, can be constructed by suitably superposition of appromiate amount of projection states. Additionally, we apply spectral projection to non-Hermitian operators, such as transition matrices, to obtain their eigenvalues and densities. Finally, we highlight potential applications of spectral projections, including the construction of new density and transition matrices and the understanding of superpositions of geometric states.
Direct observation of single-molecule interactions and dynamic configurations in situ is a demanding challenge but crucial for both chemical and biological systems. However, optical microscopy that relies on bulk measurements cannot meet these requirements due to rapid molecular diffusion in solutions and the complexity of reaction systems. In this work, we leveraged the fluorescence activation of pristine hexagonal boron nitride (h-BN) in organic solvents as a molecular sensing platform, confining the molecules to a two-dimensional (2D) interface and slowing down their motion. Conformational recognition and dynamic tracking were achieved simultaneously by measuring the 3D orientation of fluorescent emitters through polarized single-molecule localization microscopy (SMLM). We found that the orientation of in-plane emitters aligns with the symmetry of the h-BN lattice, and their conformation is influenced by both the local conditions of h-BN and the regulation of the electrochemical environment. Additionally, lateral diffusion of fluorescent emitters at the solid-liquid interface displays more abundant dynamics compared to solid-state emitters. This study opens the door for the simultaneous molecular conformation and photophysics measurement, contributing to the understanding of interactions at the single-molecule level and real-time sensing through 2D materials.
We study the transition between Néel and columnar valence-bond solid ordering in two-dimensional $S=3/2$ square lattice quantum antiferromagnets with SO(3) symmetry. According to the deconfined criticality scenario, this transition can be direct and continuous like the well-studied $S=1/2$ case. To study the global phase diagram, we work with four multi-spin couplings with full rotational symmetry, that are free of the sign-problem of quantum Monte Carlo. Exploring the phase diagram with quantum Monte Carlo simulations, we find that the phase transition between Néel and valence-bond solid is strongly first-order in the parts of the phase diagram that we have accessed.
Experimental results that BaIn2As2 and Ca(Sr)In2As2, which are the same class of alkali metal compounds, belong to different structural phases have puzzled the current materials physics community. Here, we investigate the pressure-induced structural phase transition of AIn2As2 and its accompanying improvement in mechanical and thermal properties. Firstly, the structural stability of the materials and their structural phase transitions under pressure are characterized by enthalpy and double checking by phonon dispersion spectrum. We also confirm the structural phase transitions of the hexagonal and monoclinic phases from a group-theoretic point of view, associating their symmetry operations using transformation matrices. In terms of mechanical properties, we propose an effective scheme for pressure modulation of the anisotropy of AIn2As2 materials and to induce the transformation of AIn2As2 from isotropic to anisotropic (hexagonal) and from brittle to ductile (hexagonal and monoclinic). Meanwhile, we find the negative Poisson's ratio phenomenon under compression and tension, which is favorable for a wide range of applications of this series of materials in aerospace, medicine, sensors, etc. In terms of thermal properties, applying pressure will enhance the structural phase transition temperature of AIn2As2 materials to near room temperature. We further give direct evidence of phonon softening based on group velocity calculations and reveal that phonon softening prevents the heat capacity from reaching the Dulong-Petit limit. Our study provides a theoretical basis for selecting stable structural phases and pioneering thermodynamic property studies of the thermoelectric topological candidate material AIn2As2.
Nonpolar atoms or molecules with light particle mass and weak particle-particle interaction can form quantum liquids and solids (QLS) at low temperatures. Excess electrons can be naturally bound to the surface of a QLS in a vacuum and exhibit unique quantum electronic behaviors in two and lower dimensions. In this article, we review the historical study and recent progress in this area. The main topics covered in this review include the collective and individual electron transport on liquid helium, solid neon, and solid hydrogen, the theoretical proposal and experimental effort toward single electron qubits on superfluid helium, the recent experimental realization of single electron charge qubits on solid neon and the related theoretical calculation. In the end, we review and envision extended exploration of quantum electronics on heterogeneous QLS.
In this paper, we explore the non-Hermitian transition matrix and its gravity dual. States in quantum field theories or gravity theories are typically prepared using Euclidean path integrals. We demonstrate that it is both natural and necessary to introduce non-Hermitian transitions to describe the state when employing different inner products in Euclidean quantum field theories. Transition matrices that are $\eta$-pseudo-Hermitian, with $\eta$ being positive-definite, play the same role as density matrices, where the operator $\eta$ is closely related to the definition of the inner product. Moreover, there exists a one-to-one correspondence between these transition matrices and density matrices. In the context of AdS/CFT correspondence, the Euclidean path integral in the boundary field theory can be translated to the bulk gravitational path integral. We provide an overview of the construction and interpretation of non-Hermitian spacetime. Specifically, we demonstrate the crucial role of the non-Hermitian transition matrix in realizing the thermofield concept in general cases and in understanding the gravity states dual to the eternal black hole. In this context, the pseudoentropy of the transition matrix can also be interpreted as black hole entropy. Finally, we highlight the strong subadditivity property of pseudoentropy, and the connection between non-Hermitian transition matrices and complex metrics.
Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unignorable regularity. Typically, the properties of a polymer, such as plasticity, conductivity, bio-compatibility, and so on, are highly correlated with its 3D structure. However, existing polymer property prediction methods heavily rely on the information learned from polymer SMILES sequences (P-SMILES strings) while ignoring crucial 3D structural information, resulting in sub-optimal performance. In this work, we propose MMPolymer, a novel multimodal multitask pretraining framework incorporating polymer 1D sequential and 3D structural information to encourage downstream polymer property prediction tasks. Besides, considering the scarcity of polymer 3D data, we further introduce the "Star Substitution" strategy to extract 3D structural information effectively. During pretraining, in addition to predicting masked tokens and recovering clear 3D coordinates, MMPolymer achieves the cross-modal alignment of latent representations. Then we further fine-tune the pretrained MMPolymer for downstream polymer property prediction tasks in the supervised learning paradigm. Experiments show that MMPolymer achieves state-of-the-art performance in downstream property prediction tasks. Moreover, given the pretrained MMPolymer, utilizing merely a single modality in the fine-tuning phase can also outperform existing methods, showcasing the exceptional capability of MMPolymer in polymer feature extraction and utilization.
J. P. Lorenz, J. F. Linnartz, A. Kool, M. R. van Delft, W. Guo, I. Aguilera, R. Singha, L. M. Schoop, N. E. Hussey, S. Wiedmann, A. de Visser ZrSiS has been identified as an exemplary Dirac nodal-line semimetal, in which the Dirac band crossings extend along a closed loop in momentum space. Recently, the topology of the Fermi surface of ZrSiS was uncovered in great detail by quantum oscillation studies. For a magnetic field along the tetragonal $c$ axis, a rich frequency spectrum was observed stemming from the principal electron and hole pockets, and multiple magnetic breakdown orbits. In this work we use uniaxial strain as a tuning parameter for the Fermi surface and the low energy excitations. We measure the magnetoresistance of a single crystal under tensile (up to 0.34 %) and compressive (up to -0.28 %) strain exerted along the $a$ axis and in magnetic fields up to 30 T. We observe a systematic weakening of the peak structure in the Shubnikov-de Haas frequency spectrum upon changing from compressive to tensile strain. This effect may be explained by a decrease in the effective quantum mobility upon decreasing the $c/a$ ratio, which is corroborated by a concurrent increase in the Dingle temperature.
In this paper, we establish a sum rule that connects the pseudoentropy and entanglement entropy of a superposition state. Through analytical continuation of the superposition parameter, we demonstrate that the transition matrix and density matrix of the superposition state can be treated in a unified manner. Within this framework, we naturally derive sum rules for the (reduced) transition matrix, pseudo Rényi entropy, and pseudoentropy. Furthermore, we demonstrate the close relationship between the sum rule for pseudoentropy and the singularity structure of the entropy function for the superposition state after analytical continuation. We also explore potential applications of the sum rule, including its relevance to understanding the gravity dual of non-Hermitian transition matrices and establishing upper bounds for the absolute value of pseudoentropy.
We design a (2+1))-dimensional [(2+1)D] quantum spin model in which spin-1/2 ladders are coupled through antiferromagnetic Ising interactions. The model hosts a quantum phase transition in the (2+1)D $Z_2$ universality class from the Haldane phase to the antiferromagnetic Ising ordered phase. We focus on studying the surface properties of three different surface configurations when the Ising couplings are tuned. Different behaviors are found on different surfaces. We find ordinary and two different extraordinary surface critical behaviors (SCBs) at the bulk critical point. The ordinary SCBs belong to the surface universality class of the classical 3D Ising bulk transition. One extraordinary SCBs is induced by the topological properties of the Haldane phase. Another extraordinary SCBs at the bulk critical point is induced by an unconventional surface phase transition where the surface develops an Ising order before the bulk. This surface transition is realized by coupling a (1+1)-dimensional [(1+1)D] $SU(2)_1$ CFT boundary to a (2+1)D bulk with $Z_2$ symmetry. We find that the transition is neither a (1+1)D $Z_2$ transition, expected based on symmetry consideration, nor a Kosterlitz-Thouless-like transition, violating the previous theoretical prediction. This new surface phase transition and related extraordinary SCBs deserve further analytical and numerical exploration.
We resolve the nature of the quantum phase transition between a Néel antiferromagnet and a valence-bond solid in two-dimensional spin-1/2 magnets. We study a class of $J$-$Q$ models, in which Heisenberg exchange $J$ competes with interactions $Q_n$ formed by products of $n$ singlet projectors on adjacent parallel lattice links. QMC simulations provide unambiguous evidence for first-order transitions, with the discontinuities increasing with $n$. For $n=2$ and $n=3$ models, the first-order signatures are very weak. On intermediate length scales, we extract well-defined scaling dimensions (critical exponents) that are common to the models with small $n$, indicating proximity to a quantum critical point. By combining two $Q$ terms, the transition can be tuned from weak to more strongly first-order. The two coexisting orders on the first-order line scale with a large exponent $\beta \approx 0.85$. This exponent and others are close to bounds for an SO($5$) symmetric CFT with a relevant SO($5$) singlet. We characterize the emergent SO($5$) symmetry by the scaling dimensions of its leading irrelevant perturbations. The large $\beta$ value and a large correlation length exponent, $\nu \approx 1.4$, partially explain why the transition remains near-critical even quite far away from the critical point and in many different models without fine-tuning. In addition, we find that few-spin lattice operators are dominated by the SO($5$) violating field (the traceless symmetric tensor), and interactions involving many spins are required to observe strong effects of the relevant SO($5$) singlet. The exponent that had previously been identified with the divergent correlation length when crossing between the two phases does not have a corresponding CFT operator. We explain this emergent pseudocritical scale by a mechanism relying on a dangerously irrelevant SO($5$) perturbation.
Spin-Peierls transition occurs in a one-dimensional $S=1$ Heisenberg antiferromagnetic model with single-ion anisotropy, coupled to finite frequency bond phonons, in a magnetic field. Our results indicate that for the pure Heisenberg model, any Peierls transition is suppressed by quantum fluctuations of the phonon field. However, a novel magnetic field-induced Spin-Peierls phase is realized in the presence of strong single-ion anisotropy. Contrary to the standard Peierls state, the periodicity of bond strength modulation in this field-induced Spin-Peierls state is variable and depends on the strength of the applied field. The nature of the ground state in this new phase and the associated field-driven transitions to and out of this phase are explored using extensive numerical simulations. In particular, we explore the spin and bond correlations and the evolution of bond order modulation with varying magnetic field.
In the presence of system-environment coupling, classical complex systems undergo stochastic dynamics, where rich phenomena can emerge at large spatio-temporal scales. To investigate these phenomena, numerical approaches for simulating stochastic dynamics are indispensable and can be computationally expensive. In light of the recent fast development in machine learning techniques, here, we establish a generic machine learning approach to simulate the stochastic dynamics, dubbed the noise-aware neural network (NANN). One key feature of this approach is its ability to generate the long-time stochastic dynamics of complex large-scale systems by just training NANN with the one-step dynamics of smaller-scale systems, thus reducing the computational cost. Furthermore, this NANN based approach is quite generic. Case-by-case special design of the architecture of NANN is not necessary when it is employed to investigate different stochastic complex systems. Using the noisy Kuramoto model and the Vicsek model as concrete examples, we demonstrate its capability in simulating stochastic dynamics. We believe that this novel machine learning approach can be a useful tool in investigating the large spatio-temporal scaling behavior of complex systems subjected to the influences of the environmental noise.
High Nb-containing TiAl alloys exhibit exceptional high-temperature strength and room-temperature ductility, making them widely used in hot-section components of automotive and aerospace engines. However, the lack of accurate interatomic interaction potentials for large-scale modeling severely hampers a comprehensive understanding of the failure mechanism of Ti-Al-Nb alloys and the development of strategies to enhance the mechanical properties. Here, we develop a general-purpose machine-learned potential (MLP) for the Ti-Al-Nb ternary system by combining the neural evolution potentials framework with an active learning scheme. The developed MLP, trained on extensive first-principles datasets, demonstrates remarkable accuracy in predicting various lattice and defect properties, as well as high-temperature characteristics such as thermal expansion and melting point for TiAl systems. Notably, this potential can effectively describe the key effect of Nb doping on stacking fault energies and formation energies. Of practical importance is that our MLP enables large-scale molecular dynamics simulations involving tens of millions of atoms with ab initio accuracy, achieving an outstanding balance between computational speed and accuracy. These results pave the way for studying micro-mechanical behaviors in TiAl lamellar structures and developing high-performance TiAl alloys towards applications at elevated temperatures.
In this study, we establish a connection between timelike and spacelike entanglement entropy. Specifically, for a diverse range of states, the timelike entanglement entropy is uniquely determined by a linear combination of the spacelike entanglement entropy and its first-order temporal derivative. This framework reveals that the imaginary component of the timelike entanglement entropy primarily originates from the non-commutativity between the twist operator and its first-order temporal derivative. Furthermore, we analyze the constraints of this relation and highlight the possible extension to accommodate more complex state configurations.
Shengjun Yan, Wei Mao, Wenjie Sun, Yueying Li, Haoying Sun, Jiangfeng Yang, Bo Hao, Wei Guo, Leyan Nian, Zhengbin Gu, Peng Wang, Yuefeng Nie The observation of superconductivity in infinite-layer nickelates has attracted significant attention due to its potential as a new platform for exploring high $ \mathrm{\textit{T}}_{c} $ superconductivity. However, thus far, superconductivity has only been observed in epitaxial thin films, which limits the manipulation capabilities and modulation methods compared to two-dimensional exfoliated materials. Given the exceptionally giant strain tunability and stacking capability of freestanding membranes, separating superconducting nickelates from the as-grown substrate is a novel way to engineer the superconductivity and uncover the underlying physics. Herein, we report the synthesis of the superconducting freestanding $ \mathrm{La}_{0.8}\mathrm{Sr}_{0.2}\mathrm{Ni}\mathrm{O}_{2} $ membranes ($ \mathrm{\textit{T}}_{c}\mathrm{=}\mathrm{10.9}\;\mathrm{K} $), emphasizing the crucial roles of the interface engineering in the precursor phase film growth and the quick transfer process in achieving superconductivity. Our work offers a new versatile platform for investigating the superconductivity in nickelates, such as the pairing symmetry via constructing Josephson tunneling junctions and higher $ \mathrm{\textit{T}}_{c} $ values via high-pressure experiments.
Dong Wang, Ningning Wang, Caoshun Zhang, Chunsheng Xia, Weicheng Guo, Xia Yin, Kejun Bu, Takeshi Nakagawa, Jianbo Zhang, Federico Gorelli, Philip Dalladay-Simpson, Thomas Meier, Xujie Lü, Liling Sun, Jinguang Cheng, Qiaoshi Zeng, Yang Ding, Ho-kwang Mao Following the recent report by Dasenbrock-Gammon et al. (2023) of near-ambient superconductivity in nitrogen-doped lutetium trihydride (LuH3-\deltaN\epsilon), significant debate has emerged surrounding the composition and interpretation of the observed sharp resistance drop. Here, we meticulously revisit these claims through comprehensive characterization and investigations. We definitively identify the reported material as lutetium dihydride (LuH2), resolving the ambiguity surrounding its composition. Under similar conditions (270-295 K and 1-2 GPa), we replicate the reported sharp decrease in electrical resistance with a 30% success rate, aligning with Dasenbrock-Gammon et al.'s observations. However, our extensive investigations reveal this phenomenon to be a novel, pressure-induced metal-to-metal transition intrinsic to LuH2, distinct from superconductivity. Intriguingly, nitrogen doping exerts minimal impact on this transition. Our work not only elucidates the fundamental properties of LuH2 and LuH3 but also critically challenges the notion of superconductivity in these lutetium hydride systems. These findings pave the way for future research on lutetium hydride systems while emphasizing the crucial importance of rigorous verification in claims of ambient temperature superconductivity.
We study the scaling behavior of the Rényi entanglement entropy with smooth boundaries at the phase transition point of the two-dimensional $J-Q_3$ model. Using the recently developed scaling formula [Deng \it et al., Phys. Rev. B \textbf108, 125144 (2023)], we find a subleading logarithmic term with a coefficient showing that the number of Goldstone modes is four, indicating the existence of the spontaneous symmetry breaking from an emergent $SO(5)$ to $O(4)$ in the thermodynamic limit, but restored in a finite size. This result shows that the believed deconfined quantum critical point of the $J-Q_{3}$ model is a weak first-order transition point. Our work provides a new way to distinguish a state with spontaneously broken continuous symmetry from a critical state. The method is particularly useful in identifying weak first-order phase transitions, which are hard to determine using conventional methods.
We study a generalization of the well-known classical two-dimensional square lattice compass model of XY spins (sometimes referred to as the 90$^\circ$ compass model), which interpolates between the XY model and the compass model. Our model possesses the combined $C_4$ lattice and spin rotation symmetry of the compass model but is free of its fine-tuned subsystem symmetries. Using both field theoretic arguments and Monte Carlo simulations, we find that our model possesses a line of critical points with continuously varying exponents of the Ashkin-Teller type terminating at the four-state Potts point. Further, our Monte Carlo study uncovers that beyond the four-state Potts point, the line of phase transition is connected to the lattice-nematic Ising phase transition in the square lattice compass model through a region of first-order transitions.
In this paper, we explore the characteristics of reduced density matrix spectra in quantum field theories. Previous studies mainly focus on the function $\mathcal{P}(\lambda):=\sum_i \delta(\lambda-\lambda_i)$, where $\lambda_i$ denote the eigenvalues of the reduced density matirx. We introduce a series of functions designed to capture the parameter dependencies of these spectra. These functions encompass information regarding the derivatives of eigenvalues concerning the parameters, notably including the function $\mathcal{P}_{\alpha_J}(\lambda):=\sum_i \frac{\partial \lambda_i }{\partial \alpha_J}\delta(\lambda-\lambda_i)$, where $\alpha_J$ denotes the specific parameter. Computation of these functions is achievable through the utilization of Rényi entropy. Intriguingly, we uncover compelling relationships among these functions and demonstrate their utility in constructing the eigenvalues of reduced density matrices for select cases. We perform computations of these functions across several illustrative examples. Specially, we conducted a detailed study of the variations of $\mathcal{P}(\lambda)$ and $\mathcal{P}_{\alpha_J}(\lambda)$ under general perturbation, elucidating their physical implications. In the context of holographic theory, we ascertain that the zero point of the function $\mathcal{P}_{\alpha_J}(\lambda)$ possesses universality, determined as $\lambda_0=e^{-S}$, where $S$ denotes the entanglement entropy of the reduced density matrix. Furthermore, we exhibit potential applications of these functions in analyzing the properties of entanglement entropy.
In this paper, we employ the generalized Bloch theory to rediscover the generalized Brillouin zone theory and follow this way to obtain the Green's function of the non-Hermitian system. We focus on a classical chiral model and give the exact expression of the Green's function for a finite-size system and the formal expression of the Green's function suitable for infinite size. Based on these results, we further derive the correlation matrix and validate it numerically against direct calculations for a system of size 40. The numerical results show the accuracy of our exact expression and the high fidelity of our formal expression.
We study the extreme value statistics of first-passage trajectories generating from a one-dimensional drifted Brownian motion subject to stochastic resetting to the starting point with a constant rate $r$. Each stochastic trajectory starts from a positive position $x_0$ and terminates whenever the particle hits the origin for the first time. \textcolorblueWe obtain the exact expression for the marginal distribution $P_r(M|x_0)$ of the maximum displacement $M$. We find that stochastic resetting has a profound impact on $P_r(M|x_0)$ and the expected value $\langle M \rangle$ of $M$. Depending on the drift velocity $v$, $\langle M \rangle$ shows three distinct trends of change with $r$. For $v \geq 0$, $\langle M \rangle$ decreases monotonically with $r$, and tends to $2x_0$ as $r \to \infty$. For $v_c<v<0$, $\langle M \rangle$ shows a nonmonotonic dependence on $r$, in which a minimum $\langle M \rangle$ exists for an intermediate level of $r$. For $v\leq v_c$, $\langle M \rangle$ increases monotonically with $r$. Moreover, by deriving the propagator and using path decomposition technique, we obtain in the Laplace domain the joint distribution of $M$ and the time $t_m$ at which the maximum $M$ is reached. Interestingly, the dependence of the expected value $\langle t_m \rangle$ of $t_m$ on $r$ is either monotonic or nonmonotonic, depending on the value of $v$. For $v>v_m$, there is a nonzero resetting rate at which $\langle t_m \rangle$ attains its minimum. Otherwise, $\langle t_m \rangle$ increases monotonically with $r$. We provide an analytical determination of two critical values of $v$, $v_c\approx -1.69415 D/x_0$ and $v_m\approx -1.66102 D/x_0$, where $D$ is the diffusion constant. Finally, numerical simulations are performed to support our theoretical results.
Keke Song, Rui Zhao, Jiahui Liu, Yanzhou Wang, Eric Lindgren, Yong Wang, Shunda Chen, Ke Xu, Ting Liang, Penghua Ying, Nan Xu, Zhiqiang Zhao, Jiuyang Shi, Junjie Wang, Shuang Lyu, Zezhu Zeng, Shirong Liang, Haikuan Dong, Ligang Sun, Yue Chen, et al (8) Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science.
Single electrons trapped on solid neon surfaces (eNe) have recently emerged as a promising platform for charge qubits. Experimental results have revealed their exceptionally long coherence times, yet the actual quantum states of these trapped electrons, presumably on imperfectly flat neon surfaces, remain elusive. In this paper, we examine the electron's interactions with neon surface topography, such as bumps and valleys. By evaluating the surface charges induced by the electron, we demonstrate its strong perpendicular binding to the neon surface. The Schrödinger equation for the electron's lateral motion on the curved 2D surface is then solved for extensive topographical variations. Our results reveal that surface bumps can naturally bind an electron, forming unique quantum ring states that align with experimental observations. We also show that the electron's excitation energy can be tuned using a modest magnetic field to facilitate qubit operation. This study offers a leap in our understanding of eNe qubit properties and provides strategic insights on minimizing charge noise and scaling the system to propel forward quantum computing architectures.
In this paper, we explore the concept of pseudo Rényi entropy within the context of quantum field theories (QFTs). The transition matrix is constructed by applying operators situated in different regions to the vacuum state. Specifically, when the operators are positioned in the left and right Rindler wedges respectively, we discover that the logarithmic term of the pseudo Rényi entropy is necessarily real. In other cases, the result might be complex. We provide direct evaluations of specific examples within 2-dimensional conformal field theories (CFTs). Furthermore, we establish a connection between these findings and the pseudo-Hermitian condition. Our analysis reveals that the reality or complexity of the logarithmic term of pseudo Rényi entropy can be explained through this pseudo-Hermitian framework. Additionally, we investigate the divergent term of the pseudo Rényi entropy. Interestingly, we observe a universal divergent term in the second pseudo Rényi entropy within 2-dimensional CFTs. This universal term is solely dependent on the conformal dimension of the operator under consideration. For $n$-th pseudo Rényi entropy ($n\ge 3$), the divergent term is intricately related to the specific details of the underlying theory.
Lingyong Zeng, Xunwu Hu, Yazhou Zhou, Mebrouka Boubeche, Ruixin Guo, Yang Liu, Si-Chun Luo, Shu Guo, Kuan Li, Peifeng Yu, Chao Zhang, Wei-Ming Guo, Liling Sun, Dao-Xin Yao, Huixia Luo Topological superconductors have drawn significant interest from the scientific community due to the accompanying Majorana fermions. Here, we report the discovery of electronic structure and superconductivity in high-entropy ceramics Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2Cx (x = 1 and 0.8) combined with experiments and first-principles calculations. The Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2Cx high-entropy ceramics show bulk type-II superconductivity with Tc about 4.00 K (x = 1) and 2.65 K (x = 0.8), respectively. The specific heat jump is equal to 1.45 (x = 1) and 1.52 (x = 0.8), close to the expected value of 1.43 for the BCS superconductor in the weak coupling limit. The high-pressure resistance measurements show that a robust superconductivity against high physical pressure in Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2C, with a slight Tc variation of 0.3 K within 82.5 GPa. Furthermore, the first-principles calculations indicate that the Dirac-like point exists in the electronic band structures of Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2C, which is potentially a topological superconductor. The Dirac-like point is mainly contributed by the d orbitals of transition metals M and the p orbitals of C. The high-entropy ceramics provide an excellent platform for the fabrication of novel quantum devices, and our study may spark significant future physics investigations in this intriguing material.
Superfluid helium-4 (He II) is a widely adopted coolant in scientific and engineering applications owing to its exceptional heat transfer capabilities. However, boiling can spontaneously occur on a heating surface in He II when the heat flux exceeds a threshold value $q^*$, referred to as the peak heat flux. While the parameter $q^*$ holds paramount importance in the design of He II based cooling systems, extensive research has primarily focused on its behavior in steady homogeneous heat transfer from a flat heating surface. For inhomogeneous heat transfer from curved surfaces, $q^*$ exhibits intricate dependance on parameters such as the He II bath temperature $T_b$, the immersion depth $h$, and the curvature radius $R_0$ of the heating surface. A comprehensive understanding on how $q^*$ depends on these parameters remains elusive. In this paper, we report our systematic study on $q^*$ for steady heat transfer from cylindrical and spherical heaters in He II. We compute $q^*$ for a wide range of parameter combinations $(T_b, h, R_0)$ by solving the He II two-fluid equations of motion. The generated data have allowed us to develop a robust correlation that accurately reproduces $q^*$ for all the parameter combinations we explored. Our findings, particularly the establishment of the correlation, carry valuable implications for emergent applications that involve steady inhomogeneous heat transfer in He II systems.
Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated (Villain) transverse-field Ising model on the square lattice. We consider a "primary" spin order parameter and a "secondary" dimer order parameter, which both lead to the same phase diagram but detect $Z_8$ and $Z_4$ symmetry, respectively. The spin order scales with conventional exponents, both in the finite temperature critical phase and at the $T = 0$ quantum critical point. The scaling of the dimer order requires more detailed investigations of the applicable low-energy theories; the height model at $T > 0$ and the $O(2)$ model in 2+1 dimensions at $T = 0$. Relating the order parameters to operators in these effective models, we predict the secondary critical exponents and confirm them numerically. The relationships between the primary and secondary order parameters have not been previously discussed in this context and provide insight more broadly for Ising models whose low-energy physics involves dimer degrees of freedom.
We study the electronic properties of a novel topological defect structure for graphene interspersed with C558-line defects along the Armchair boundary. This system has the topological property of being topologically three-periodic and the type-II Dirac-fermionic character of the embedded topological phase. At the same time, we show computationally that the topological properties of the system are overly dependent on the coupling of this line defect. Using strain engineering to regulate the magnitude of hopping at the defect, the position of the energy level can be easily changed to achieve a topological phase transition. We also discuss the local magnetic moment and the ferromagnetic ground state in the context of line defects, which is the conclusion after considering additional Coulomb interactions. This leads to spin polarization of the whole system. Finally, by modulating the local magnetic moment at the position of the line defect, we achieve a tunable spin quantum conductance in a one-dimensional nanoribbon. Near the Fermi energy level, it also has the property of complete spin polarization. Consequently, spin filtering can be achieved by varying the incident energy of the electrons.
Here, we report a new intrinsic magnetic topological insulator FeBi$_2$Te$_4$ based on first-principles calculations and it can achieve a rich topological phase under pressure modulation. Without pressure, we predict that both FeBi$_2$Te$_4$ ferromagnetic and antiferromagnetic orders are non-trivial topological insulators. Furthermore, FeBi$_2$Te$_4$ of FM-z order will undergo a series of phase transitions from topological insulator to semimetals and then to trivial insulator under pressure. Finally, we further clarify and verify topological phase transitions with low-energy effective model calculations. This topological phase transition process is attributed to the synergy of the magnetic moment and the spin-orbit coupling. The unique topological properties of FeBi$_2$Te$_4$ will be of great interest in driving the development of quantum effects.
By generalizing the density matrix to a transition matrix between two states, represented as $|\phi\rangle$ and $|\psi\rangle$, one can define the pseudoentropy analogous to the entanglement entropy. In this paper, we establish an operator sum rule that pertains to the reduced transition matrix and reduced density matrices corresponding to the superposition states of $|\phi\rangle$ and $|\psi\rangle$. It is demonstrated that the off-diagonal elements of operators can be correlated with the expectation value in the superposition state. Furthermore, we illustrate the connection between the pseudo-Rényi entropy and the Rényi entropy of the superposition states. We provide proof of the operator sum rule and verify its validity in both finite-dimensional systems and quantum field theory. We additionally demonstrate the significance of these sum rules in gaining insights into the physical implications of transition matrices, pseudoentropy, and their gravity dual.
Lingyong Zeng, Zequan Wang, Jing Song, Gaoting Lin, Ruixin Guo, Si-Chun Luo, Shu Guo, Kuan Li, Peifei Yu, Chao Zhang, Wei-Ming Guo, Jie Ma, Yusheng Hou, Huixia Luo High-entropy ceramics (HECs) are solid solutions of inorganic compounds with one or more Wyckoff sites shared by equal or near-equal atomic ratios of multi-principal elements. Material design and property tailoring possibilities emerge from this new class of materials. Here, we report the discovery of superconductivity around 2.35 K and topological properties in the (Ti0.2Zr0.2Nb0.2Hf0.2Ta0.2)C high-entropy carbide ceramic (HECC), which has not been observed before in any of the investigated HECC. Density functional theory calculations showed that six type-II Dirac points exist in (Ti0.2Zr0.2Nb0.2Hf0.2Ta0.2)C, which mainly contributed from the t2g orbitals of transition metals and the p orbitals of C. Due to the stability of the structure, we also observed robust superconductivity under pressure in this HEC superconductor. This study expands the physical properties of HECs, which may become a new material platform for superconductivity research, especially for studying the coupling between superconductivity and topological physics.
We study the extreme value statistics of a one-dimensional resetting Brownian motion (RBM) till its first passage through the origin starting from the position $x_0$ ($>0$). By deriving the exit probability of RBM in an interval $\left[0, M \right] $ from the origin, we obtain the distribution $P_r(M|x_0)$ of the maximum displacement $M$ and thus gives the expected value $\langle M \rangle$ of $M$ as functions of the resetting rate $r$ and $x_0$. We find that $\langle M \rangle$ decreases monotonically as $r$ increases, and tends to $2 x_0$ as $r \to \infty$. In the opposite limit, $\langle M \rangle$ diverges logarithmically as $r \to 0$. Moreover, we derive the propagator of RBM in the Laplace domain in the presence of both absorbing ends, and then leads to the joint distribution $P_r(M,t_m|x_0)$ of $M$ and the time $t_m$ at which this maximum is achieved in the Lapalce domain by using a path decomposition technique, from which the expected value $\langle t_m \rangle$ of $t_m$ is obtained explicitly. Interestingly, $\langle t_m \rangle$ shows a nonmonotonic dependence on $r$, and attains its minimum at an optimal $r^{*} \approx 2.71691 D/x_0^2$, where $D$ is the diffusion coefficient. Finally, we perform extensive simulations to validate our theoretical results.
The spatially precise integration of arrays of micro-patterned two-dimensional (2D) crystals onto three-dimensionally structured Si/SiO$_2$ substrates represents an attractive strategy towards the low-cost system-on-chip integration of extended functions in silicon microelectronics. However, the reliable integration of the arrays of 2D materials on non-flat surfaces has thus far proved extremely challenging due to their poor adhesion to underlying substrates as ruled by weak van der Waals interactions. Here we report on a novel fabrication method based on nano-subsidence which enables the precise and reliable integration of the micro-patterned 2D materials/silicon photodiode arrays exhibiting high uniformity. Our devices display peak sensitivity as high as 0.35 A/W and external quantum efficiency (EQE) of ca. 90%, outperforming most commercial photodiodes. The nano-subsidence technique opens a viable path to on-chip integrate 2D crystals onto silicon for beyond-silicon microelectronics.
In this paper, we derive corrections to the subleading logarithmic term of the entanglement entropy in systems with spontaneous broken continuous symmetry. Using quantum Monte Carlo simulations, we show that the improved scaling formula leads to much better estimations of the number of Goldstone modes in the two-dimensional square lattice spin-1/2 Heisenberg model and bilayer spin-1/2 Heisenberg model in systems of rather small sizes, compared with previous results. In addition, the universal geometry-dependent finite constant in the entanglement entropy scaling is also obtained in good agreement with the theoretical value.
We present a comprehensive study on the extraction of CFT data using tensor network methods, specially, from the fixed-point tensor of the linearized tensor renormalization group (lTRG) for the 2D classical Ising model near the critical temperature. Utilizing two different methods, we extract operator scaling dimensions and operator-product-expansion (OPE) coefficients by introducing defects on the lattice and by employing the fixed-point tensor. We also explore the effects of point-like defects in the lattice on the coarse-graining process. We find that there is a correspondence between coarse-grained defect tensors and conformal states obtained from lTRG fixed-point equation. We also analyze the capabilities and limitations of our proposed coarse-graining scheme for tensor networks with point-like defects, which includes graph independent local truncation (GILT) and higher-order tensor renormalization group (HOTRG). Our results provide a better understanding of the capacity and limitations of the tenor renormalization group scheme in coarse-graining defect tensors, and we show that GILT+HOTRG can be used to give accurate two- and four-point functions under specific conditions. We also find that employing the minimal canonical form further improves the stability of the RG flow.
We report the epitaxial growth of Ruddlesden-Popper nickelates, $ \mathrm{La}_{n+1}\mathrm{Ni}_{n}\mathrm{O}_{3n+1} $, with $ n $ up to 5 by reactive molecular beam epitaxy (MBE). X-ray diffractions indicate high crystalline quality of these films and transport measurements show strong dependence on the $ n $ values. Angle-resolved photoemission spectroscopy (ARPES) reveals the electronic structure of $ \mathrm{La}_{5}\mathrm{Ni}_{4}\mathrm{O}_{13} $, showing a large hole-like pocket centered around the Brillouin zone corner with a $ (\pi, \pi) $ back-folded copy.
The extraordinary properties of a heterostructure by stacking atom-thick van der Waals (vdW) magnets have been extensively studied. However, the magnetocaloric effect (MCE) of heterostructures that are based on monolayer magnets remains to be explored. Herein, we deliberate MCE of vdW heterostructure composed of a monolayer CrI$_3$ and metal atomic layers (Ag, Hf, Au, and Pb). It is revealed that heterostructure engineering by introducing metal substrate can improve MCE of CrI$_3$, particularly boosting relative cooling power to 471.72 $\mu$Jm$^{-2}$ and adiabatic temperature change to 2.1 K at 5 T for CrI$_3$/Hf. This improved MCE is ascribed to the enhancement of magnetic moment and intralayer exchange coupling in CrI$_3$ due to the CrI$_3$/metal heterointerface induced charge transfer. Electric field is further found to tune MCE of CrI$_3$ in heterostructures and could shift the peak temperature by around 10 K in CrI$_3$/Hf, thus manipulating the working temperature window of MCE. The discovered electric-field and substrate regulated MCE in CrI$_3$/metal heterostructure opens new avenues for low-dimensional magnetic refrigeration.
Fatigue properties of additively manufactured (AM) materials depend on many factors such as AM processing parameter, microstructure, residual stress, surface roughness, porosities, post-treatments, etc. Their evaluation inevitably requires these factors combined as many as possible, thus resulting in low efficiency and high cost. In recent years, their assessment by leveraging the power of machine learning (ML) has gained increasing attentions. Here, we present a comprehensive overview on the state-of-the-art progress of applying ML strategies to predict fatigue properties of AM materials, as well as their dependence on AM processing and post-processing parameters such as laser power, scanning speed, layer height, hatch distance, built direction, post-heat temperature, etc. A few attempts in employing feedforward neural network (FNN), convolutional neural network (CNN), adaptive network-based fuzzy system (ANFS), support vector machine (SVM) and random forest (RF) to predict fatigue life and RF to predict fatigue crack growth rate are summarized. The ML models for predicting AM materials' fatigue properties are found intrinsically similar to the commonly used ones, but are modified to involve AM features. Finally, an outlook for challenges (i.e., small dataset, multifarious features, overfitting, low interpretability, unable extension from AM material data to structure life) and potential solutions for the ML prediction of AM materials' fatigue properties is provided.
The advancement of two-dimensional polar metals tends to be limited by the incompatibility between electric polarity and metallicity as well as dimension reduction. Here, we report polar and metallic Janus monolayers of MoSi$_2$N$_4$ family by breaking the out-of-plane (OOP) structural symmetry through Z (P/As) substitution of N. Despite the semiconducting nature of MoSi$_2$X$_4$ (X=N/P/As), four Janus MoSi$_2$N$_{x}$Z$_{4-x}$ monolayers are found to be polar metals owing to the weak coupling between the conducting electrons and electric polarity. The metallicity is originated from the Z substitution induced delocalization of occupied electrons in Mo-d orbitals. The OOP electric polarizations around 10$-$203 pC/m are determined by the asymmetric OOP charge distribution due to the non-centrosymmetric Janus structure. The corresponding OOP piezoelectricity is further revealed as high as 39$-$153 pC/m and 0.10$-$0.31 pm/V for piezoelectric strain and stress coefficients, respectively. The results demonstrate polar metallicity and high OOP piezoelectricity in Janus MoSi$_2$N$_{x}$Z$_{4-x}$ monolayers and open new vistas for exploiting unusual coexisting properties in monolayers derived from MoSi$_2$N$_4$ family.
We carry out large-scale quantum Monte Carlo simulations of a candidate field theory for the onset of superconductivity in magic-angle twisted bilayer graphene. The correlated insulating state at charge neutrality spontaneously breaks U(1) Moiré valley symmetry. Owing to the topological nature of the bands, skyrmion defects of the order parameter carry charge $2e$ and condense upon doping. In our calculations we encode the U(1) symmetry by an internal degree of freedom such that it is not broken upon lattice regularization. Furthermore, the skyrmion carries the same charge. The nature of the doping-induced phase transitions depends on the strength of the easy-plane anisotropy that reduces the SU(2) valley symmetry to U(1) $\times \mathbb{Z}_2 $. For large anisotropy, we observe two distinct transitions separated by phase coexistence. While the insulator to superconducting transition is of mean-field character, the U(1) transition is consistent with three-dimensional XY criticality. Hence, the coupling between the gapless charge excitations of the superconducting phase and the XY order parameter is irrelevant. At small anisotropy, we observe a first-order transition characterized by phase separation.
Two-dimensional magnets could potentially revolutionize information technology, but their potential application to cooling technology and magnetocaloric effect (MCE) in a material down to the monolayer limit remain unexplored. Herein, we reveal through multiscale calculations the existence of giant MCE and its strain tunability in monolayer magnets such as CrX$_3$ (X=F, Cl, Br, I), CrAX (A=O, S, Se; X=F, Cl, Br, I), and Fe$_3$GeTe$_2$. The maximum adiabatic temperature change ($\Delta T_\text{ad}^\text{max}$), maximum isothermal magnetic entropy change, and specific cooling power in monolayer CrF$_3$ are found as high as 11 K, 35 $\mu$Jm$^{-2}$K$^{-1}$, and 3.5 nWcm$^{-2}$ under a magnetic field of 5 T, respectively. A 2% biaxial and 5% $a$-axis uniaxial compressive strain can remarkably increase $\Delta T_\text{ad}^\text{max}$ of CrCl$_3$ and CrOF by 230% and 37% (up to 15.3 and 6.0 K), respectively. It is found that large net magnetic moment per unit area favors improved MCE. These findings advocate the giant-MCE monolayer magnets, opening new opportunities for magnetic cooling at nanoscale.
Using Quantum Monte Carlo simulations, we study spin-1/2 diagonal ladders coupled by ferromagnetic Heisenberg interactions. The model can also be viewed as usual ladders with ferromagnetic rung couplings coupled by antiferromagnetic diagonal couplings. We find that the model hosts a striped magnetic ordered phase and two topological nontrivial Haldane phases, separated by two quantum critical points. We show that the two quantum critical points are all in the three-dimensional O(3) universality class irrelevant to the topological properties of the Haldane phases. The properties of the surface formed by ladder ends in the two Haldane phases are studied. We find that the surface states are both gapless due to the symmetry-protected topological bulk states. We further demonstrate that extraordinary surface critical behaviors are realized at both critical points on such gapless surfaces without enhancing the surface coupling. Notably, the surface is not expected to be ordered in the three-dimensional classical O(3) critical point, suggesting that the topological properties of the Haldane phases are responsible for such surface critical behavior.
In the search for high-temperature superconductivity in hydrides, a plethora of multi-hydrogen superconductors have been theoretically predicted, and some have been synthesized experimentally under ultrahigh pressures of several hundred GPa. However, the impracticality of these high-pressure methods has been a persistent issue. In response, we propose a new approach to achieve high-temperature superconductivity under atmospheric pressure by implanting hydrogen into lead to create a stable few-hydrogen metal-bonded perovskite, Pb$_4$H. This approach diverges from the popular design methodology of multi-hydrogen covalent high critical temperature ($T_c$) superconductors under ultrahigh pressure. By solving the anisotropic Migdal-Eliashberg (ME) equations, we demonstrate that perovskite Pb$_4$H is a typical phonon-mediated superconductor with a $T_c$ of 46 K, which is six times higher than that of bulk Pb (7.22 K) and higher than that of MgB$_2$ (39 K). The high $T_c$ can be attributed to the strong electron-phonon coupling (EPC) strength of 2.45, which arises from hydrogen implantation in lead that induces several high-frequency optical phonon modes with a relatively large phonon linewidth resulting from H atom vibration. The metallic-bonding in perovskite Pb$_4$H not only improves the structural stability but also guarantees better ductility than the widely investigated multi-hydrogen, iron-based, and cuprate superconductors. These results suggest that there is potential for the exploration of new high-temperature superconductors under atmospheric pressure and may reignite interest in their experimental synthesis soon.
We introduce a model of Dirac fermions in 2+1 dimensions with a semimetallic, a quantum spin-Hall insulating (QSHI), and an s-wave superconducting (SSC) phase. The phase diagram features a multicritical point at which all three phases meet as well as a QSHI-SSC deconfined critical point. The QSHI and SSC orders correspond to mutually anti-commuting mass terms of the Dirac Hamiltonian. Based on this algebraic property, SO(5) symmetric field theories have been put forward to describe both types of critical points. Using quantum Monte Carlo simulations, we directly study the operator that rotates between QSHI and SSC states. The results suggest that it commutes with the low-energy effective Hamiltonian at criticality but has a gap in the ordered phases. This implies an emergent SO(5) symmetry at both the multicritical and the deconfined critical points.
The pioneering work of William F. Vinen (also known as Joe Vinen) on thermal counterflow turbulence in superfluid helium-4 largely inaugurated the research on quantum turbulence. But despite decades of research on this topic, there are still open questions remaining to be solved. One such question is related to the anomalous increase of the vortex-line density $L(t)$ during the decay of counterflow turbulence, which is often termed as the ``bump'' on the $L(t)$ curve. In 2016, Vinen and colleagues developed a theoretical model to explain this puzzling phenomenon (JETP Letters, \textbf103, 648-652 (2016)). However, he realized in the last a few years of his life that this theory must be at least inadequate. In remembrance of Joe, we discuss in this paper his latest thoughts on counterflow turbulence and its decay. We also briefly outline our recent experimental and numerical work on this topic.
Like many quantum fluids, superfluid helium-4 (He II) can be considered as a mixture of two miscible fluid components: an inviscid superfluid and a viscous normal fluid consisting of thermal quasiparticles [1]. A mutual friction between the two fluids can emerge due to quasiparticles scattering off quantized vortex lines in the superfluid [2]. This quantum dissipation mechanism is the key for understanding various fascinating behaviors of the two-fluid system [3,4]. However, due to the lack of experimental data for guidance, modeling the mutual friction between individual vortices and the normal fluid remains an unsettled topic despite decades of research [5-10]. Here we report an experiment where we visualize the motion of quantized vortex rings in He II by decorating them with solidified deuterium tracer particles. By examining how the rings spontaneously shrink and accelerate, we provide unequivocal evidences showing that only a recent theory [9] which accounts for the coupled motion of the two fluids with a self-consistent local friction can reproduce the observed ring dynamics. Our work eliminates long-standing ambiguities in our theoretical description of the vortex dynamics in He II, which will have a far-reaching impact since similar mutual friction concept has been adopted for a wide variety of quantum two-fluid systems, including atomic Bose-Einstein condensates (BECs) [11,12], superfluid neutron stars [13-15], and gravity-mapped holographic superfluid [16,17].
The discovery of two-dimensional (2D) layered MoSi$_2$N$_4$ and WSi$_2$N$_4$ without knowing their 3D parents by chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA$_2$Z$_4$ system due to its structural complexity and diversity as well as versatile and intriguing properties. Here, a comprehensive overview on the state-of-the-art progress of this 2D MA$_2$Z$_4$ family is presented. Starting by describing the unique sandwich structural characteristics of the emerging monolayer MA$_2$Z$_4$, we summarize and anatomize their versatile properties including mechanics, piezoelectricity, thermal transport, electronics, optics/optoelectronics, and magnetism. The property tunability via strain engineering, surface functionalization and layered strategy is also elaborated. Theoretical and experimental attempts or advances in applying 2D MA$_2$Z$_4$ to transistors, photocatalysts, batteries and gas sensors are then reviewed to show its prospective applications over a vast territory. We further discuss new opportunities and suggest prospects for this emerging 2D family. The overview is anticipated to guide the further understanding and exploration on 2D MA$_2$Z$_4$.
As a generalization of entanglement entropy, pseudo entropy is not always real. The real-valued pseudo entropy has promising applications in holography and quantum phase transition. We apply the notion of pseudo-Hermticity to formulate the reality condition of pseudo entropy. We find the general form of the transition matrix for which the eigenvalues of the reduced transition matrix possess real or complex pairs of eigenvalues. Further, we construct a class of transition matrices for which the pseudo (Rényi) entropies are non-negative. Some known examples which give real pseudo entropy in quantum field theories can be explained in our framework. Our results offer a novel method to generate the transition matrix with real pseudo entropy. Finally, we show the reality condition for pseudo entropy is related to the Tomita-Takesaki modular theory for quantum field theory.
Robin Anthony-Petersen, Andreas Biekert, Raymond Bunker, Clarence L. Chang, Yen-Yung Chang, Luke Chaplinsky, Eleanor Fascione, Caleb W. Fink, Maurice Garcia-Sciveres, Richard Germond, Wei Guo, Scott A. Hertel, Ziqing Hong, Noah Kurinsky, Xinran Li, Junsong Lin, Marharyta Lisovenko, Rupak Mahapatra, Adam Mayer, Daniel N. McKinsey, et al (26) The performance of superconducting qubits is degraded by a poorly characterized set of energy sources breaking the Cooper pairs responsible for superconductivity, creating a condition often called ``quasiparticle poisoning". Both superconducting qubits and low threshold dark matter calorimeters have observed excess bursts of quasiparticles or phonons that decrease in rate with time. Here, we show that a silicon crystal glued to its holder exhibits a rate of low-energy phonon events that is more than two orders of magnitude larger than in a functionally identical crystal suspended from its holder in a low-stress state. The excess phonon event rate in the glued crystal decreases with time since cooldown, consistent with a source of phonon bursts which contributes to quasiparticle poisoning in quantum circuits and the low-energy events observed in cryogenic calorimeters. We argue that relaxation of thermally induced stress between the glue and crystal is the source of these events.
Using Quantum Monte Carlo simulations, we study the spin-1/2 Heisenberg model on a two-dimensional lattice formed by coupling diagonal ladders. The model hosts an antiferromagnetic Néel phase, a rung singlet product phase, and a topological none trivial Haldane phase, separated by two quantum phase transitions. We show that the two quantum critical points are all in the three-dimensional O(3) universality class. The properties of the two gapped phases, including the finite-size behavior of the string orders in the Haldane phase, are studied. We show that the surface formed by the ladders ends is gapless, while the surface exposed along the ladders is gapful, in the Haldane phase. Conversely, in the gapped rung singlet phase, the former surface is gapped, and the latter is gapless. We demonstrate that, although mechanisms of the two gapless modes are different, nonordinary surface critical behaviors are realized at both critical points on the gapless surfaces exposed by simply cutting bonds without fine-tuning the surface coupling required to reach a multicritical point in classical models. We also show that, on the gapped surfaces, the surface critical behaviors are in the ordinary class.
The quantum spin Hall state can be understood in terms of spontaneous O(3) symmetry breaking. Topological skyrmion configurations of the O(3) order parameter vector carry a charge 2e, and as shown previously, when they condense, a superconducting state is generated. We show that this topological route to superconductivity survives easy-plane anisotropy. Upon reducing the O(3) symmetry to O(2)$\times$ Z$_2$, skyrmions give way to merons that carry a unit charge. On the basis of large-scale auxiliary field quantum Monte Carlo simulations, we show that at the particle-hole symmetric point, we can trigger a continuous and direct transition between the quantum spin Hall state and s-wave superconductor by condensing pairs of merons. This statement is valid in both strong and weak anisotropy limits. Our results can be interpreted in terms of an easy-plane deconfined quantum critical point. However, in contrast to the previous studies in quantum spin models, our realization of this quantum critical point conserves $U(1)$ charge, such that skyrmions are conserved.
We investigate the steady-state and dynamical properties of a reciprocal many-body system consisting of self-propelled active particles with local alignment interactions that exists within a fan-shaped neighborhood of each particle. We find that the nonreciprocity can emerge in this reciprocal system once the spontaneous symmetry breaking is present, and the effective description of the system assumes a non-Hermitian structure that directly originates from the emergent nonreciprocity. This emergent nonreciprocity can impose strong influences on the properties the system. In particular, it can even drive a real-space condensation of active particles. Our findings pave the way for identifying a new class of physics in reciprocal systems that is driven by the emergent nonreciprocity.
Superfluid helium-4 (He II) has been widely utilized as a coolant in various scientific and engineering applications due to its superior heat transfer capability. An important parameter required in the design of many He II based cooling systems is the peak heat flux $q^*$, which refers to the threshold heat flux above which boiling spontaneously occurs in He II. Past experimental and numerical studies showed that $q^*$ increases when the heating time $t_h$ is reduced, which leads to an intuitive expectation that very high $q^*$ may be achievable at sufficiently small $t_h$. Knowledge on how $q^*$ actually behaves at small $t_h$ is important for applications such as laser ablation in He II. Here we present a numerical study on the evolution of the thermodynamic state of the He II in front of a planar heater by solving the He II two-fluid equations of motion. For an applied heat flux, we determine the heating time beyond which the He II near the heater transits to the vapor phase. As such, a curve correlating $q^*$ and $t_h$ can be obtained, which nicely reproduces some relevant experimental data. Surprisingly, we find that there exists a critical peak heat flux $q^*_c$, above which boiling occurs nearly instantaneously regardless of $t_h$. We reveal that the boiling in this regime is essentially cavitation caused by the combined effects of the first-sound and the second-sound waves in He II. Based on this physical picture, an analytical model for $q^*_c$ is developed, which reproduces the simulated $q^*_c$ values at various He II bath temperatures and hydrostatic head pressures. This work represents a major progress in our understanding of transient heat transfer in He II.
Wenjie Sun, Yueying Li, Ruxin Liu, Jiangfeng Yang, Jiayi Li, Shengjun Yan, Haoying Sun, Wei Guo, Zhengbin Gu, Yu Deng, Xuefeng Wang, Yuefeng Nie After being expected as a promising analogue to cuprates for decades, superconductivity was recently discovered in infinite-layer nickelates, providing new opportunities to explore mechanisms of high-temperature superconductivity. However, in sharp contrast to the single-band quasi-two-dimensional superconductivity in cuprates, nickelates exhibit a multi-band electronic structure and an unexpected isotropic superconductivity as reported recently, which challenges the cuprate-like picture in nickelates. Here, we show the superconductivity in nickelates is actually anisotropic and quasi-two-dimensional in nature, as that in cuprates. By synthesizing high-quality lanthanide nickelate films with enhanced crystallinity and superconductivity ($T_{c}^{onset}$ = 18.8 K, $T_{c}^{zero}$ = 16.5 K), strong anisotropic magnetotransport behaviors have been observed. The quasi-two-dimensional nature is further confirmed by the existence of a cusp-like peak of the angle-dependent $T_{c}$, and a Berezinskii-Kosterlitz-Thouless transition near $T_{c}$. Our work thus suggests a quasi-two-dimensional superconductivity in infinite-layer nickelates, implying a single-3$d_{x^2-y^2}$-band cuprate-like picture may remain valid in these compounds.
Using Monte Carlo simulations and finite-size scaling analysis, we show that the $q$-state clock model with $q=6$ on the simple cubic lattice with open surfaces has a rich phase diagram; in particular, it has an extraordinary-log phase, besides the ordinary and extraordinary transitions at the bulk critical point. We prove numerically that the presence of the intermediate extraordinary-log phase is due to the emergence of an O(2) symmetry in the surface state before the surface enters the $Z_{q}$ symmetry-breaking region as the surface coupling is increased at the bulk critical point, while O(2) symmetry emerges for the bulk. The critical behaviors of the extraordinary-log transition, as well as the ordinary and the special transition separating the ordinary and the extraordinary-log transition are obtained.
In this work, a novel highly fabrication tolerant polarization beam splitter (PBS) is presented on an InP platform. To achieve the splitting, we combine the Pockels effect and the plasma dispersion effect in a symmetric 1x2 Mach-Zehnder interferometer (MZI). One p-i-n phase shifter of the MZI is driven in forward bias to exploit the plasma dispersion effect and modify the phase of both the TE and TM mode. The other arm of the MZI is driven in reverse bias to exploit the Pockels effect which affects only the TE mode. By adjusting the voltages of the two phase shifters, a different interference condition can be set for the TE and the TM modes thereby splitting them at the output of the MZI. By adjusting the voltages, the very tight fabrication tolerances known for fully passive PBS are eased. The experimental results show that an extinction ratio better than 15 dB and an on-chip loss of 3.5 dB over the full C-band (1530-1565nm) are achieved.
Yuhao Li, Minmin Xue, Hua Fan, Cun-Fa Gao, Yan Shi, Yang Liu, K. Watanabe, T. Taniguchi, Yue Zhao, Fengcheng Wu, Xinran Wang, Yi Shi, Wanlin Guo, Zhuhua Zhang, Zaiyao Fei, Jiangyu Li A double moiré superlattice can be realized by stacking three layers of atomically thin two-dimensional materials with designer interlayer twisting or lattice mismatches. In this novel structure, atomic reconstruction of constituent layers could introduce significant modifications to the lattice symmetry and electronic structure at small twist angles. Here, we employ conductive atomic force microscopy (cAFM) to investigate symmetry breaking and local electrical properties in twisted trilayer graphene. We observe clear double moiré superlattices with two distinct moire periods all over the sample. At neighboring domains of the large moiré, the current exhibit either two- or six-fold rotational symmetry, indicating delicate symmetry breaking beyond the rigid model. Moreover, an anomalous current appears at the 'A-A' stacking site of the larger moiré, contradictory to previous observations on twisted bilayer graphene. Both behaviors can be understood by atomic reconstruction, and we also show that the cAFM signal of twisted graphene samples is dominated by the tip-graphene contact resistance that maps the local work function of twisted graphene and the metallic tip qualitatively. Our results unveil cAFM is an effective probe for visualizing atomic reconstruction and symmetry breaking in novel moiré superlattices, which could provide new insights for exploring and manipulating more exotic quantum states based on twisted van der Waals heterostructures.
For performing regression tasks involved in various physics problems, enhancing the precision or equivalently reducing the uncertainty of regression results is undoubtedly one of the central goals. Here, somewhat surprisingly, we find that the unfavorable regression uncertainty in performing the regression tasks of inverse statistical problems actually contains hidden information concerning the phase transitions of the system under consideration. By utilizing this hidden information, we develop a new unsupervised machine learning approach for automated detection of phases of matter, dubbed learning from regression uncertainty. This is achieved by revealing an intrinsic connection between regression uncertainty and response properties of the system, thus making the outputs of this machine learning approach directly interpretable via conventional notions of physics. We demonstrate the approach by identifying the critical points of the ferromagnetic Ising model and the three-state clock model, and revealing the existence of the intermediate phase in the six-state and seven-state clock models. Comparing to the widely-used classification-based approaches developed so far, although successful, their recognized classes of patterns are essentially abstract, which hinders their straightforward relation to conventional notions of physics. These challenges persist even when one employs the state-of-the-art deep neural networks that excel at classification tasks. In contrast, with the core working horse being a neural network performing regression tasks, our new approach is not only practically more efficient, but also paves the way towards intriguing possibilities for unveiling new physics via machine learning in a physically interpretable manner.
In classical viscous fluids, turbulent eddies are known to be responsible for the rapid spreading of embedded particles. But in an inviscid quantum fluid where the turbulence is induced by a chaotic tangle of quantized vortices, dispersion of the particles is achieved via a non-classical mechanism, i.e., their binding to the evolving quantized vortices. However, there is limited existing knowledge on how the vortices diffuse and spread in turbulent quantum fluids. Here we report a systematic numerical study of the apparent diffusion of vortices in a random vortex tangle in superfluid helium-4 using full Biot-Savart simulation. We reveal that the vortices in pure superfluid exhibit a universal anomalous diffusion (superdiffusion) at small times, which transits to normal diffusion at large times. This behavior is found to be caused by a generic scaling property of the vortex velocity, which should exist in all quantum fluids where the Biot-Savart law governs the vortex motion. Our simulation at finite temperatures also nicely reproduces recent experimental observations. The knowledge obtained from this study may form the foundation for understanding turbulent transport and universal vortex dynamics in various condensed-matter and cosmic quantum fluids.
Nonequilibrium many-body transient dynamics play an important role in the adaptation of active matter systems environment changes. However, the generic universal behavior of such dynamics is usually elusive and left as open questions. Here, we investigate the transient dynamics of vortex-like states in a two-dimensional active matter system that consists of self-propelled particles with alignment interactions subjected to extrinsic environmental noise. We identify a universal power-law scaling for the average lifetime of vortex-like states with respect to the speed of the self-propelled particles. This universal scaling behavior manifests strong robustness against the noise, up to the level where influences from environmental fluctuations are large enough to directly randomize the moving directions of particles. Direct experimental observations can be readily performed by related experimental setups operated at a decently low noise level.
W.-D. Zhao, Y.-B. Yang, Y. Jiang, Z.-C. Mao, W.-X. Guo, L.-Y. Qiu, G.-X. Wang, L. Yao, L. He, Z.-C. Zhou, Y. Xu, L.-M. Duan Symmetries play a crucial role in the classification of topological phases of matter. Although recent studies have established a powerful framework to search for and classify topological phases based on symmetry indicators, there exists a large class of fragile topology beyond the description. The Euler class characterizing the topology of two-dimensional real wave functions is an archetypal fragile topology underlying some important properties, such as non-Abelian braiding of crossing nodes and higher-order topology. However, as a minimum model of fragile topology, the two-dimensional topological Euler insulator consisting of three bands remains a significant challenge to be implemented in experiments. Here, we experimentally realize a three-band Hamiltonian to simulate a topological Euler insulator with a trapped-ion quantum simulator. Through quantum state tomography, we successfully evaluate the Euler class, Wilson loop flow and entanglement spectra to show the topological properties of the Hamiltonian. We also measure the Berry phases of the lowest energy band, illustrating the existence of four crossing points protected by the Euler class. The flexibility of the trapped-ion quantum simulator further allows us to probe dynamical topological features including skyrmion-antiskyrmion pairs and Hopf links in momentum-time space from quench dynamics. Our results show the advantage of quantum simulation technologies for studying exotic topological phases and open a new avenue for investigating fragile topological phases in experiments.
Xiaohui Yang, Jin-Ke Bao, Zhefeng Lou, Peng Li, Chenxi Jiang, Jialu Wang, Tulai Sun, Yabin Liu, Wei Guo, Sitaram Ramakrishnan, Surya Rohith Kotla, Martin Tolkiehn, Carsten Paulmann, Guang-Han Cao, Yuefeng Nie, Wenbin Li, Yang Liu, Sander van Smaalen, Xiao Lin, Zhu-An Xu Intercalation and stacking order modulation are two active ways in manipulating the interlayer interaction of transition metal dichalcogenides (TMDCs), which lead to a variety of emergent phases and allow for engineering material properties. Herein, the growth of Pb intercalated TMDCs--Pb(Ta$_{1+x}$Se$_2$)$_2$, the first 124-phase, is reported. Pb(Ta$_{1+x}$Se$_2$)$_2$ exhibits a unique two-step first-order structural phase transition at around 230 K. The transitions are solely associated with the stacking degree of freedom, evolving from a high temperature phase with ABC stacking and symmetry $R3m$ to an intermediate phase with AB stacking and $P3m1$, and finally to a low temperature phase with again symmetry $R3m$, but with ACB stacking. Each step involves a rigid slide of building blocks by a vector [1/3, 2/3, 0]. Intriguingly, gigantic lattice contractions occur at the transitions on warming. At low temperature, bulk superconductivity with $T_\textrm{c}\approx$ 1.8 K is observed. The underlying physics of the structural phase transitions are discussed from first-principle calculations. The symmetry analysis reveals topological nodal lines in the band structure. Our results demonstrate the possibility to realize higher order metal intercalated phases of TMDCs, advance our knowledge of polymorphic transitions and may inspire stacking order engineering in TMDCs and beyond.
We study the surface behavior of the two-dimensional columnar dimerized quantum antiferromagnetic XXZ model with easy-plane anisotropy, with particular emphasis on the surface critical behaviors of the (2+1)-dimensional quantum critical points of the model that belong to the classical three-dimensional O(2) universality class, for both $S=1/2$ and $S=1$ spins using quantum Monte Carlo simulations. We find completely different surface behaviors on two different surfaces of geometrical settings: the dangling-ladder surface, which is exposed by cutting a row of weak bonds, and the dangling-chain surface, which is formed by cutting a row of strong bonds along the direction perpendicular to the strong bonds of a periodic system. Similar to the Heisenberg limit, we find an ordinary transition on the dangling-ladder surface for both $S=1$ and $S=1/2$ spin systems. However, the dangling-chain surface shows much richer surface behaviors than in the Heisenberg limit. For the $S=1/2$ easy-plane model, at the bulk critical point, we provide evidence supporting an extraordinary surface transition with a long-range order established by effective long-range interactions due to bulk critical fluctuations. The possibility that the state is an extraordinary-log state seems unlikely. For the $S=1$ system, we find surface behaviors similar to that of the three-dimensional classical XY model with sufficiently enhanced surface coupling, suggesting an extraordinary-log state at the bulk critical point.
Thermodynamic and dynamical properties of a model of Dirac fermions with a deconfined quantum critical point (DQCP) separating an interaction-generated quantum spin-Hall insulator from an s-wave superconductor [Nature Comm.~\bf 10, 2658 (2019)] are studied by quantum Monte Carlo simulations. Inside the deconfined quantum critical region bound by the single-particle gap, spinons and spinless charge-2e skyrmions emerge. Since the model conserves total spin and charge, and has a single length scale, these excitations lead to a characteristic linear temperature dependence of the uniform spin and charge susceptibilities. At the DQCP, the order parameter dynamic structure factors show remarkable similarities that support emergent Lorentz symmetry. Above a critical temperature, superconductivity is destroyed by the proliferation of spin-1/2 vortices.
Continuous phase transitions exhibit richer critical phenomena on the surface than in the bulk, because distinct surface universality classes can be realized at the same bulk critical point by tuning the surface interactions. The exploration of surface critical behavior provides a window looking into higher-dimensional boundary conformal field theories. In this work, we study the surface critical behavior of a two-dimensional (2D) quantum critical Heisenberg model by tuning the surface coupling strength, and discover a direct special transition on the surface from the ordinary phase into an extraordinary phase. The extraordinary phase has a long-range antiferromagnetic order on the surface, in sharp contrast to the logarithmic decaying spin correlations in the 3D classical O(3) model. The special transition point has a new set of critical exponents, $y_{s}=0.86(4)$ and $\eta_{\parallel}=-0.33(1)$, which are distinct from the special transition of the classical O(3) model and indicate a new surface universality class of the 3D O(3) Wilson-Fisher theory.
Superconducting joints are one of the key technologies to make Ba1-xKxFe2As2 (Ba-122) superconducting wires or tapes for high-field applications. Herein, superconducting joints were fabricated by a simple cold-pressing method, and the joint resistance of the iron-based superconducting joint was estimated for the first time. The superconducting properties, microstructures, and elements distribution in the joint regions were investigated. At 4.2 K and 10 T, a transport critical current Ic of 105 A for the joint was obtained, and the critical current ratio (CCR= Ic-joint/Ic-tape) of the joint was 94.6%. On the other hand, the joint show very low joint resistance of 2.7x10^-13 ohm in self-field at 4.2 K. Among iron-based superconductors (IBS), this work is the first to successfully realize a superconducting joint with such high CCR and low joint resistance. This work shows great potential to apply Ba-122 in a range of practical applications, where superconducting joints are essential.
The lattice thermal conductivity ($\kappa$) of newly synthesized two-dimensional (2D) MoSi$_2$N$_4$ family and its associated abnormality is anatomized by $ab$ $initio$ phonon Boltzmann transport calculations. $\kappa$ of MoSi$_2$N$_4$ and WSi$_2$N$_4$ is found over 400 Wm$^{-1}$K$^{-1}$ at 300 K. $\kappa$ of MoSi$_2$Z$_4$ (Z=N,P,As) obeys Slack's rule of thumb, decreasing by one order of magnitude from Z=N to Z=As with 46 Wm$^{-1}$K$^{-1}$. However, in MSi$_2$N$_4$ (M=Mo,Cr,W,Ti,Zr,Hf), the variation of $\kappa$ with respect to M is anomalous, i.e. deviating from Slack's classic rule. For M in the same group, $\kappa$ of MSi$_2$N$_4$ is insensitive to the average atomic mass, Debye temperature, phonon group velocity, and bond strength owing to the similar phonon structure and scattering rates. MSi$_2$N$_4$ with heavy group-VIB M even possesses a three to four times higher $\kappa$ than that with light group-IVB M, due to its much stronger M-N and exterior Si-N bonds and thus one order of magnitude lower phonon scattering rates. Nevertheless, this abnormality could be traced to an interplay of certain basic vibrational properties including the bunching strength and flatness of acoustic branches and their nearby optical branches, which lie outside of the conventional guidelines by Slack. This work predicts high $\kappa$ of 2D MSi$_2$Z$_4$ for thermal management and provides microscopic insight into deciphering the anomalous $\kappa$ of layered 2D structures.