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The quantum spin Hall effect has been predicted in twisted homobilayer transition metal dichalcogenides (TMDs) owing to the layer-pseudospin magnetic field. Recently, experimental observations have also confirmed such topological states of matter. However, the topological electronic properties in multilayer moiré superlattices remain to be further explored. In twisted TMDs heterotrilayers, the realization of moiré potential with various symmetries becomes feasible. Here, we demonstrate that twisted trilayer TMDs can enter a topological insulator phase under the influence of moiré potential with ${C_6}$ symmetry. Specifically, we built two types of trilayer heterostructures, where the low-energy valence band electrons are contributed by the middle layer. In the AA-stacked moiré WS$_2$/WSe$_2$/MoS$_2$ heterotrilayers where only the middle layer is twisted, the maxima of the moiré potential exhibits an approximate ${C_6}$ symmetry. The $C_6$ symmetry effectively compensates for the spatial inversion symmetry breaking in the WSe$_2$ layer, leading to a twist-angle-dependent topological phase transition. Leveraging a Green's function approach, we calculate the local state density of edge states at topological minigaps, confirming their nature as moiré edge states. In the helical twisted AA-stacked moiré MoS$_2$/WSe$_2$/MoS$_2$ heterotrilayers, we observed a mosaic pattern of topological and trivial insulators. The emergence of topological mosaic is attributed to the maxima of the local moiré potential possessing $C_6$ symmetry. The results provide a new way for the experimental realization of topological phases in TMDs heterojunctions.

The state-of-the-art theoretical formalism for a covariant description of non-Gaussian fluctuation dynamics in relativistic fluids is discussed.

When alloy systems comprise more than three elements, the visualization of the entire phase space becomes not only daunting but is also accompanied by a data surge. Addressing this complexity, we delve into the FeNiCrMn alloy system and introduce the Large CALPHAD Model (LCM). The LCM acts as a computational conduit, capturing the entire phase space. Subsequently, this enormous data is systematically structured using a high-dimensional phase diagram, aided by hash tables and Depth-first Search (DFS), rendering it both digestible and programmatically accessible. Remarkably, the LCM boasts a 97% classification accuracy and a mean square error of 4.80*10-5 in phase volume prediction. Our methodology successfully delineates 51 unique phase spaces in the FeNiCrMn system, exemplifying its efficacy with the design of all 439 eutectic alloys. This pioneering methodology signifies a monumental shift in alloy design techniques or even multi-variable problems.

Bilayer moiré structures have attracted significant attention recently due to their spatially modulated layer degrees of freedom. However, the layer-dependent transport mechanism in the moiré structures is still a problem to be explored. Here we investigate the layer-dependent transport properties regulated by the strain, the interlayer bias and the number of moiré periods in a strained moiré homobilayer TMDs nanoribbon based on low-energy efficient models. The charge carriers can pass perfectly through the scattering region with the moiré potential. While, it is noted that the overall transmission coefficient is mainly contributed from either intralayer or interlayer transmissions. The transition of transport mechanism between intralayer and interlayer transmissions can be achieved by adjusting the strain. The intralayer transmissions are suppressed and one of the interlayer transmissions can be selected by a vertical external electric field, which can cause a controllable layer polarization. Moreover, the staggered intralayer and interlayer minigaps are formed as the number of moiré periods increases in the scattering region due to the overlap of the wave functions in two adjacent moiré periods. Our finding points to an opportunity to realize layer functionalities by the strain and electric field.

Since the discovery of the fascinating properties in magic-angle graphene, the exploration of moiré systems in other two-dimensional materials has garnered significant attention and given rise to a field known as 'moiré physics'. Within this realm, magnetic van der Waals heterostructure and the magnetic proximity effect in moiré superlattices have also become subjects of great interest. However, the spin-polarized transport property in this moiré structures is still a problem to be explored. Here, we investigate the spin-polarized transport properties in a moiré superlattices formed by a two-dimensional ferromagnet CrI_3 stacked on a monolayer BAs, where the spin degeneracy is lifted because of the magnetic proximity effect associated with the moiré superlattices. We find that the conductance exhibits spin-resolved miniband transport properties at a small twist angle because of the periodic moiré superlattices. When the incident energy is in the spin-resolved minigaps, the available states are spin polarized, thus providing a spin-polarized current from the superlattice. Moreover, only a finite number of moiré period is required to obtain a net spin polarization of 100\%. In addition, the interlayer distance of the heterojunction is also moiré modifiable, so a perpendicular electric field can be applied to modulate the intensity and direction of the spin polarization. Our finding points to an opportunity to realize spin functionalities in magnetic moiré superlattices.

We consider non-equilibrium evolution of non-Gaussian fluctuations within relativistic hydrodynamics relevant for the QCD critical point search in heavy-ion collision experiments. We rely on the hierarchy of relaxation time scales, which emerges in the hydrodynamic regime near the critical point, to focus on the slowest mode such as the fluctuations of specific entropy, whose equilibrium magnitude, non-Gaussianity and typical relaxation time are increasing as the critical point is approached. We derive evolution equations for the non-Gaussian correlators of this diffusive mode in an arbitrary relativistic hydrodynamic flow. We compare with the simpler case of the stochastic diffusion on a static homogeneous background and identify terms which are specific to the case of the full hydrodynamics with pressure fluctuations and flow.

Recent progress of a general deterministic approach to the non-Gaussian fluctuation dynamics is reviewed, with an emphasis on the derivation of the fluctuation evolution equations and their phenomenological implication in heavy-ion collision experiments.

Particle swaps can drastically accelerate dynamics in glass. The mechanism is expected to be vital for a fundamental understanding of glassy dynamics. To extract defining features, we propose a partial swappability with a fraction \phi_s of swap-initiating particles, which can only swap locally with each other or with regular particles. We focus on the swap-dominating regime. At all temperatures studied, particle diffusion coefficients scale with \phi_s in unexpected power laws with temperature-dependent exponents, consistent with the kinetic picture of glass transition. At small \phi_s, swap-initiators, becoming defect particles, induce remarkably typical glassy dynamics of regular particles. This supports defect models of glass.

Valley degree of freedom besides spin is a promising candidate as a carrier of information. Spintronics has come a long way and spin modulation can be realized by quantum interference and spin-orbit coupling effect. However, the control of valley degree of freedom using quantum interference is still a problem to be explored. Here we discover a mechanism of producing valley polarization in a monolayer transition metal dichalcogenides nanoribbon with attached stubs, in which valley-resolved Fano resonance are formed due to the quantum interference of intervalley backscattering. When the quantum interference occurs between the localized states at the edge of the stubs and the continuous channels in the nanoribbon, the transmission dips of Fano effect is valley-polarized. As the number of stubs increases, the valley-polarized transmission dips will split and valley-resolved minigaps are formed by Fano resonance with intervalley backscattering in stub superlattice. When the electron incident energy is in these valley-resolved gaps of the superlattice, even with several stubs, the transmission can have a significant valley polarization. Our finding points to an opportunity to realize valley functionalities by quantum interference.

In the context of the search for the QCD critical point using non-Gaussian fluctuations, we obtain the evolution equations for non-Gaussian cumulants to the leading order of the systematic expansion in the magnitude of thermal fluctuations. We develop a diagrammatic technique in which the leading order contributions are given by tree diagrams. We introduce a Wigner transform for multipoint correlators and derive the evolution equations for three- and four-point Wigner functions for the problem of nonlinear stochastic diffusion with multiplicative noise.

Surface electronic structures of the photoelectrodes determine the activity and efficiency of the photoelectrochemical water splitting, but the controls of their surface structures and interfacial chemical reactions remain challenging. Here, we use ferroelectric BiFeO3 as a model system to demonstrate an efficient and controllable water splitting reaction by large-area constructing the hydroxyls-bonded surface. The up-shift of band edge positions at this surface enables and enhances the interfacial holes and electrons transfer through the hydroxyl-active-sites, leading to simultaneously enhanced oxygen and hydrogen evolutions. Furthermore, printing of ferroelectric super-domains with microscale checkboard up/down electric fields separates the distribution of reduction/oxidation catalytic sites, enhancing the charge separation and giving rise to an order of magnitude increase of the photocurrent. This large-area printable ferroelectric surface and super-domains offer an alternative platform for controllable and high-efficient photocatalysis.

Stacking fault energy (SFE) plays an important role in deformation mechanisms and mechanical properties of face-centered cubic (fcc) metals and alloys. In metastable fcc alloys, the SFEs determined from density functional theory (DFT) calculations and experimental methods often have opposite signs. Here, we show that the negative SFE by DFT reflects the thermodynamic instability of the fcc phase relative to the hexagonal close-packed one; while the experimentally determined SFEs are restricted to be positive by the models behind the indirect measurements. We argue that the common models underlying the experimental measurements of SFE fail in metastable alloys. In various concentrated solid solutions, we demonstrate that the SFEs obtained by DFT calculations correlate well with the primary deformation mechanisms observed experimentally, showing a better resolution than the experimentally measured SFEs. Furthermore, we believe that the negative SFE is important for understanding the abnormal behaviors of partial dislocations in metastable alloys under deformation. The present work advances the fundamental understanding of SFE and its relation to plastic deformations, and sheds light on future alloy design by physical metallurgy.

We review the recent development on a systematic deterministic formalism describing dynamics of both bulk and fluctuations in an arbitrary relativistic hydrodynamic flow carrying conserved charges. In particular, we discuss the implementation of such general formalism near the QCD critical point.

Manipulating the valley degree of freedom to encode information for potential valleytronic devices has ignited a new direction in solid-state physics. A significant, fundamental challenge in the field of valleytronics is how to generate and regulate valley-polarized currents by practical ways. Here, we discover a new mechanism of producing valley polarization in a monolayer transition metal dichalcogenides superlattice, in which valley-resolved gaps are formed at the supercell Brillouin zone boundaries and centers due to the intervalley scattering. When the energy of the incident electron is in the gaps, the available states are valley polarized, thus providing a valley-polarized current from the superlattice. We show that the direction and strength of the valley polarization may further be tuned by varying the potential applied the superlattice. The transmission can have a net valley polarization of 55% for a 4-period heterojunction. Moreover, such two valley filters in series may function as an electrostatically controlled giant valleyresistance device, representing a zero magnetic field counterpart to the familiar giant magnetoresistance device.

High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain elusive. Twinning usually occurs via continuous nucleation and gliding of twinning partial dislocations on consecutive close-packed atomic planes. Here we unveil a completely different twinning mechanism being active in metastable fcc materials. The transformation-mediated twinning (TMT) is featured by a preceding displacive transformation from the fcc phase to the hexagonal close-packed (hcp) one, followed by a second-step transformation from the hcp phase to the fcc twin. The nucleation of the intermediate hcp phase is driven by the thermodynamic instability and the negative stacking fault energy of the metastable fcc phase. The intermediate hcp structure is characterized by the easy slips of Shockley partial dislocations on the basal planes, which leads to both fcc and fcc twin platelets during deformation, creating more twin boundaries and further enhancing the prosperity of twins. The disclosed fundamental understanding of the complex dislocation mechanism of deformation twinning in metastable alloys paves the road to design novel materials with outstanding mechanical properties.

Graphene electrons feature a pair of massless Dirac cones of opposite pseudospin chirality at two valleys. Klein tunneling refers to the intriguing capability of these chiral electrons to penetrate through high and wide potential barrier. The two valleys have been treated independently in the literature, where time reversal symmetry dictates that neither the normal incidence transmission nor the angle-averaged one can have any valley polarization. Here we show that, when intervalley scattering by barrier is accounted, graphene electrons normally incident at a superlattice barrier can experience a fully valley-selective Klein tunneling, i.e. perfect transmission in one valley, and perfect reflection in the other. Intervalley backscattering creates staggered pseudospin gaps in the superlattice barrier, which, combined with the valley contrast in pseudospin chirality, determines the valley polarity of Klein tunneling. The angle averaged transmission can have a net valley polarization of 20% for a 5-period barrier, and exceed 75% for a 20-period barrier. Our finding points to an unexpected opportunity to realize valley functionalities in graphene electronics.

Inorganic ferroelectric perovskite oxides are more stable than hybrid perovskites. However, their solar energy harvest efficiency is not so good. Here, by constructing a series of BiFeO3 based devices (solar cells), we investigated three factors that influence the photovoltaic performance, including spontaneous polarization, terminated ions species in the interface between BiFeO3 and the electrode, and polarized light irradiation. This work was carried out in the framework of density functional theory combined with non-equilibrium Green's function theory under built in electric field or finite bias. The results showed that 1. the photocurrent is larger only under a suitable electronic band gap rather than larger spontaneous polarization; 2. the photocurrent reaches the largest in Bi ions terminated interface than in the case of Fe ion or O ion with SrTiO3 electrode; 3. the photocurrent could be largely enhanced if the polarized direction of the monochromatic light is perpendicular to the spontaneous polarization direction. The results would deepen the understanding of some experimental results of BiFeO3 based solar cells.

We present a general systematic formalism for describing dynamics of fluctuations in an arbitrary relativistic hydrodynamic flow, including their feedback (known as long-time hydrodynamic tails). The fluctuations are described by two-point equal-time correlation functions. We introduce a definition of equal time in a situation where the local rest frame is determined by the local flow velocity, and a method of taking derivatives and Wigner transforms of such equal-time correlation functions, which we call confluent. We find that the equations for confluent Wigner functions not only resemble kinetic equations, but that the kinetic equation for phonons propagating on an arbitrary background nontrivially matches the equations for Wigner functions, including relativistic inertial and Coriolis forces due to acceleration and vorticity of the flow. We also describe the procedure of renormalization of short-distance singularities which eliminates cutoff dependence, allowing efficient numerical implementation of these equations.

We address a number of outstanding questions associated with the analytic properties of the universal equation of state of the $\phi^4$ theory, which describes the critical behavior of the Ising model and ubiquitous critical points of the liquid-gas type. We focus on the relation between spinodal points that limit the domain of metastability for temperatures below the critical temperature, i.e., $T < T_{\rm c}$, and Lee-Yang edge singularities that restrict the domain of analyticity around the point of zero magnetic field $H$ for $T > T_{\rm c}$. The extended analyticity conjecture (due to Fonseca and Zamolodchikov) posits that, for $T < T_{\rm c}$, the Lee-Yang edge singularities are the closest singularities to the real $H$ axis. This has interesting implications, in particular, that the spinodal singularities must lie off the real $H$ axis for $d < 4$, in contrast to the commonly known result of the mean-field approximation. We find that the parametric representation of the Ising equation of state obtained in the $\varepsilon = 4-d$ expansion, as well as the equation of state of the ${\rm O}(N)$-symmetric $\phi^4$ theory at large $N$, are both nontrivially consistent with the conjecture. We analyze the reason for the difficulty of addressing this issue using the $\varepsilon$ expansion. It is related to the long-standing paradox associated with the fact that the vicinity of the Lee-Yang edge singularity is described by Fisher's $\phi^3$ theory, which remains nonperturbative even for $d\to 4$, where the equation of state of the $\phi^4$ theory is expected to approach the mean-field result. We resolve this paradox by deriving the Ginzburg criterion that determines the size of the region around the Lee-Yang edge singularity where mean-field theory no longer applies.

We determine the scaling properties of the Yang-Lee edge singularity as described by a one-component scalar field theory with imaginary cubic coupling, using the nonperturbative functional renormalization group in $3 \leq d\leq 6$ Euclidean dimensions. We find very good agreement with high-temperature series data in $d = 3$ dimensions and compare our results to recent estimates of critical exponents obtained with the four-loop $\epsilon = 6-d$ expansion and the conformal bootstrap. The relevance of operator insertions at the corresponding fixed point of the RG $\beta$ functions is discussed and we estimate the error associated with $\mathcal{O}(\partial^4)$ truncations of the scale-dependent effective action.

In solid, the crystalline structure can endow electron an internal degree of freedom known as valley, which characterizes the degenerate energy minima in momentum space. The recent success in optical pumping of valley polarization in 2D transition metal dichalcogenides (TMDs) has greatly promoted the concept of valley-based informatics and electronics. However, between the demonstrated valley polarization of transient electron-hole pair excitations and practical valleytronic operations, there exist obvious gaps to fill, among which is the valley pump of long-lived charge carriers. Here we discover that the quested valley pump of electrons or holes can be realized simply by scattering at the ubiquitous nonmagnetic disorders, not relying on any specific material property. The mechanism is rooted in the nature of valley as a momentum space index: the intervalley backscattering in general has valley contrasted rate due to the distinct momentum transfers, causing a net transfer of population from one valley to another. As examples, we numerically demonstrate the sizable valley pump effects driven by charge current in nanoribbons of monolayer TMDs, where the spin-orbit scattering by non-magnetic disorders also realizes spin pump for the spin-valley locked holes. Our finding points to an unexpected new opportunity towards valley-spintronics, turning disorders from a deleterious factor to a resource of valley and spin polarization.

We investigate the scattering and localization properties of edge and bulk states in a disordered two-dimensional topological insulator when they coexist at the same fermi energy. Due to edge-bulk backscattering (which is not prohibited \empha priori by topology or symmetry), Anderson disorder makes the edge and bulk states localized indistinguishably. Two methods are proposed to effectively decouple them and to restore robust transport. The first kind of decouple is from long range disorder, since edge and bulk states are well separated in $k$ space. The second one is from an edge gating, owing to the edge nature of edge states in real space. The latter can be used to electrically tune a system between an Anderson insulator and a topologically robust conductor, i.e., a realization of a topological transistor.

The effect of an ac electric field on quantum transport properties in a system of three quantum dots, two of which are connected in parallel while the third is coupled to one of the other two, is investigated theoretically. Based on the Keldysh nonequilibrium Green's function method, the spin-dependent current, occupation number and spin accumulation can be obtained in our model. An external magnetic flux, Rashba spin orbit coupling (SOC) and intradot Coulomb interactions are considered. The magnitude of the spin-dependent average current and the positions of the photon assisted tunneling (PAT) peaks can be accurately controlled and manipulated by simply varying the strength of the coupling and the frequency of the ac field. A particularly interesting result is the observation of a new kind of PAT peak and a multiple electron-photon pump effect that can generated and controlled by the coupling between the quantum dots. In addition, the spin occupation number and spin accumulation can be well controlled by the Rashba SOC and the magnetic flux.

Considering the difference of energy bands in graphene and silicene, we put forward a new model of the graphene-silicene-graphene (GSG) heterojunction. In the GSG, we study the valley polarization properties in a zigzag nanoribbon in the presence of an external electric field. We find the energy range associated with the bulk gap of silicene has a valley polarization more than 95%. Under the protection of the topological edge states of the silicene, the valley polarization remains even the small non-magnetic disorder is introduced. These results have certain practical significance in applications for future valley valve.

We theoretically investigate the effect of the negative differential conductance of a ferromagnetic barrier on the surface of a topological insulator. Due to the changes of the shape and position of the Fermi surfaces in the ferromagnetic barrier, the transport processes can be divided into three kinds: the total, partial and blockade transmission mechanisms. The bias voltage can give rise to the transition of the transport processes from partial to blockade transmission mechanisms, which results in a giant effect of negative differential conductance. With appropriate structural parameters, the current-voltage characteristics show that the minimum value of the current can reach to zero in a wide range of the bias voltage, and a large peak-to-valley current ratio can be obtained.

We investigate the interplay between the edge and bulk states, induced by the Rashba spin-orbit coupling, in a zigzag silicene nanoribbon in the presence of an external electric field. The interplay can be divided into two kinds, one is the interplay between the edge and bulk states with opposite velocities, and the other is that with the same velocity direction. The former can open small direct spin-dependent subgaps. A spin-polarized current can be generated in the nanoribbon as the Fermi energy is in the subgaps. While the later can give rise to the spin precession in the nanoribbon. Therefore, the zigzag silicene nanoribbon can be used as an efficient spin filter and spin modulation device.

The application of a perpendicular electric field can drive silicene into a gapless state, characterized by two nearly fully spin-polarized Dirac cones owing to both relatively large spin-orbital interactions and inversion symmetry breaking. Here we argue that since inter-valley scattering from non-magnetic impurities is highly suppressed by time reversal symmetry, the physics should be effectively single-Dirac-cone like. Through numerical calculations, we demonstrate that there is no significant backscattering from a single impurity that is non-magnetic and unit-cell uniform, indicating a stable delocalized state. This conjecture is then further confirmed from a scaling of conductance for disordered systems using the same type of impurities.

We investigate the transport properties in a zigzag silicene nanoribbon in the presence of an external electric field. The staggered sublattice potential and two kinds of Rashba spin-orbit couplings can be induced by the external electric field due to the buckled structure of the silicene. A bulk gap is opened by the staggered potential and gapless edge states appear in the gap by tuning the two kinds of Rashba spin-orbit couplings properly. Furthermore, the gapless edge states are spin-filtered and are insensitive to the non-magnetic disorder. These results prove that the quantum spin Hall effect can be induced by an external electric field in silicene, which may have certain practical significance in applications for future spintronics device.

A mechanism to generate a spin-polarized current in a two-terminal zigzag silicene nanoribbon is predicted. As a weak local exchange field that is parallel to the surface of silicene is applied on one of edges of the silicene nanoribbon, a gap is opened in the corresponding gapless edge states but another pair of gapless edge states with opposite spin are still protected by the time-reversal symmetry. Hence, a spin-polarized current can be induced in the gap opened by the local exchange field in this two-terminal system. What is important is that the spin-polarized current can be obtained even in the absence of Rashba spin-orbit coupling and in the case of the very weak exchange filed. That is to say, the mechanism to generate the spin-polarized currents can be easily realized experimentally.We also find that the spin-polarized current is insensitive to weak disorder.

We predict a mechanism to generate a pure spin current in a two-dimensional topological insulator. As the magnetic impurities exist on one of edges of the two-dimensional topological insulator, a gap is opened in the corresponding gapless edge states but another pair of gapless edge states with opposite spin are still protected by the time-reversal symmetry. So the conductance plateaus with the half-integer values $e^2/h$ can be obtained in the gap induced by magnetic impurities, which means that the pure spin current can be induced in the sample. We also find that the pure spin current is insensitive to weak disorder. The mechanism to generate pure spin currents is generalized for two-dimensional topological insulators.