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We study the electronic structure of alternating-twist tetralayer graphene, especially near its magic angle $\theta = 1.75^\circ$, for different AA, AB, and SP sliding geometries at their middle interface that divides two twisted bilayer graphenes. This sliding dependence is shown for the bandwidths, band gaps, and $K$-valley Chern numbers of the lowest-energy valence and conduction bands as a function of twist angle and interlayer potential difference. Our analysis reveals that the AA sliding is most favorable for narrow bands and gaps, and the AB sliding is most prone to developing finite valley Chern numbers. We further analyze the linear longitudinal optical absorptions as a function of photon energy and the absorption map in the moiré Brillouin zone for specific transition energies. A self-consistent Hartree calculation reveals that the AA system's electronic structure is the most sensitive to variations in carrier density.

Including the effect of the trivial band near Weyl nodes, we evaluate the longitudinal magnetoconductivity (LMC) of Weyl semimetals along the magnetic field direction using the Boltzmann magnetotransport theory, and study its dependence on the magnetic field, Fermi energy, and temperature. We find that for weak internode and node-trivial band scatterings, the LMC is quadratic in the magnetic field and is inversely proportional to the fourth power of the Fermi energy at high densities due to internode scatterings, and to the square of the Fermi energy at low densities due to scatterings between a Weyl node and the trivial band. In the case of strong internode and nodetrivial band scatterings, the magnetic field-driven anisotropy induced by the phase-space volume element and the orbital magnetic moment cannot be neglected. As a result, the LMC exhibits a significantly different trend compared to that in the weak internode and node-trivial band scattering limit. Finally, we calculate the temperature dependence of the LMC in the strong inelastic scattering limit and obtain its asymptotic behaviors at low and high temperatures, respectively, demonstrating that the temperature dependence is strongly affected by the existence of the trivial band.

The light dark matter mass regime has emerged as the next frontier in the direct detection experiment due to the lack of any detection signal in the higher mass range. In this paper, we propose a new detector material, a bilayer stack of graphene to detect sub-MeV dark matter. Its voltage-tunable low energy sub-eV electronic band gap makes it an excellent choice for the detector material of a light dark matter search experiment. We compute its dielectric function using the random phase approximation and estimate the projected sensitivity for sub-MeV dark matter-electron scattering and sub-eV dark matter absorption. We show that a bilayer graphene dark matter detector can have competitive sensitivity as other candidate target materials, like a superconductor, but with a tunable threshold energy in this mass regime. The dark matter scattering rate in bilayer graphene is also characterized by a daily modulation from the rotation of the Earth which may help us mitigate the backgrounds in a future experiment. We also outline a detector design concept and provide noise estimates that can be followed to setup an experiment in future.

We investigate the total energies of spontaneous spin-valley polarized states in bi-, tri-, and tetralayer rhombohedral graphene where the long-range Coulomb correlations are accounted for within the random phase approximation. Our analysis of the phase diagrams for varying carrier doping and perpendicular electric fields shows that the exchange interaction between chiral electrons is the main driver of spin-valley polarization, while the presence of Coulomb correlations brings the flavor polarization phase boundaries to carrier densities close to the complete filling of the Mexican hat shape top at the Dirac points. We find that the tendency towards spontaneous spin-valley polarization is enhanced with the chirality of the bands and therefore with increasing number of layers.

SrAs$_3$ is a unique nodal-line semimetal that contains only a single nodal ring in the Brillouin zone, uninterrupted by any trivial bands near the Fermi energy. We performed axis-resolved optical reflection measurements on SrAs$_3$ and observed that the optical conductivity exhibits flat absorption up to 129 meV in both the radial and axial directions, confirming the robustness of the universal power-law behavior of the nodal ring. Furthermore, in conjunction with model and first-principles calculations, the axis-resolved optical conductivity unveiled fundamental properties beyond the flat absorption, including the overlap energy of the topological bands, the spin-orbit coupling gap along the nodal ring, and the geometric properties of the nodal ring such as the average ring radius, ring ellipticity, and velocity anisotropy. In addition, our temperature-dependent measurements revealed a spectral weight transfer between intraband and interband transitions, indicating a possible violation of the optical sum rule within the measured energy range.

We theoretically study the energy and optical absorption spectra of alternating twist multilayer graphene (ATMG) under a perpendicular electric field. We obtain analytically the low-energy effective Hamiltonian of ATMG up to pentalayer in the presence of the interlayer bias by means of first-order degenerate-state perturbation theory, and present general rules for constructing the effective Hamiltonian for an arbitrary number of layers. Our analytical results agree to an excellent degree of accuracy with the numerical calculations for twist angles $\theta \gtrsim 2.2^{\circ}$ that are larger than the typical range of magic angles. We also calculate the optical conductivity of ATMG and determine its characteristic optical spectrum, which is tunable by the interlayer bias. When the interlayer potential difference is applied between consecutive layers of ATMG, the Dirac cones at the two moiré Brillouin zone corners $\bar{K}$ and $\bar{K}'$ acquire different Fermi velocities, generally smaller than that of monolayer graphene, and the cones split proportionally in energy resulting in a step-like feature in the optical conductivity.

We investigate the electronic structure of alternating-twist triple Bernal-stacked bilayer graphene (t3BG) as a function of interlayer coupling $\omega$, twist angle $\theta$, interlayer potential difference $\Delta$, and top-bottom bilayers sliding vector $\boldsymbol{\tau}$ for three possible configurations AB/AB/AB, AB/BA/AB, and AB/AB/BA. The parabolic low-energy band dispersions in a Bernal-stacked bilayer and gap-opening through a finite interlayer potential difference $\Delta$ allows the flattening of bands in t3BG down to $\sim 20$~meV for twist angles $\theta \lesssim 2^{\circ}$ regardless of the stacking types. The easier isolation of the flat bands and associated reduction of Coulomb screening thanks to the intrinsic gaps of bilayer graphene for finite $\Delta$ facilitate the formation of correlation-driven gaps when it is compared to the metallic phases of twisted trilayer graphene under electric fields. We obtain the stacking dependent Coulomb energy versus bandwidth $U/W \gtrsim 1$ ratios in the $\theta$ and $\Delta$ parameter space. We also present the expected $K$-valley Chern numbers for the lowest-energy nearly flat bands.

Recently, Lee \textitet. al. [Nano Lett. \textbf21, 4305 (2021)] newly synthesized monochalcogenide GeSe in a polar phase, referred to as $\gamma$-phase. Motivated by this work, we study shift current of $\gamma$-GeSe and its tunability via an in-plane uniaxial strain. Using first-principles calculations, we uncover the electronic structure of the strained $\gamma$-GeSe systems. We then calculate frequency-dependent shift current conductivities at various strains. The tunability is demonstrated to enhance the shift current up to $\sim$ 20 $\mu$A/V$^2$. Moreover, the direction of shift current can be inverted by a light strain. Markedly, an anomalous behavior is found in the zero-frequency limit, which can be an indicative of band inversion and a potential topological phase transition driven by the strain. Our results suggest that shift current can be a tangible prove of bulk electronic states of $\gamma$-GeSe.

In topological semimetals and insulators, negative longitudinal magnetoresistance and angle-dependent planar Hall effect have been reported arising from the Berry curvature. Using the Boltzmann transport theory, we present a closed-form expression for the nonequilibrium distribution function which includes both the effects of the Berry curvature and Lorentz force. Using this formulation, we obtain analytical expressions for conductivity and resistivity tensors in Weyl semimetals demonstrating a non-monotonic field dependence arising from the competition between the two effects.

We explicitly calculate the density-density response function with conserving vertex corrections for anisotropic multiband systems in the presence of impurities including long-range disorder. The direction-dependence of the vertex corrections is correctly considered to obtain the diffusion constant which is given by the combination of the componentwise transport relaxation times and velocities on the Fermi surface. We also investigate the diffusive density response of various anisotropic systems, propose some empirical rules for the corresponding diffusion constant, and demonstrate that it is crucial to consider the component-dependence of the transport relaxation times to correctly interpret the transport properties of anisotropic systems, especially various topological materials with a different power-law dispersion in each direction.

Understanding the transport behavior of an electronic system under the influence of a magnetic field remains a key subject in condensed matter physics. Particularly in topological materials, their nonvanishing Berry curvature can lead to many interesting phenomena in magnetotransport owing to the coupling between the magnetic field and Berry curvature. By fully incorporating both the field-driven anisotropy and inherent anisotropy in the band dispersion, we study the semiclassical Boltzmann magnetotransport theory in topological materials with a nonvanishing Berry curvature. We show that as a solution to the Boltzmann transport equation the effective mean-free-path vector is given by the integral equation, including the effective velocity arising from the coupling between the magnetic field, Berry curvature and mobility. We also calculate the conductivity of Weyl semimetals with an isotropic energy dispersion, and find that the coupling between the magnetic field and Berry curvature induces anisotropy in the relaxation time, showing a substantial deviation from the result obtained assuming a constant relaxation time.

We study three-dimensional time-reversal-invariant topological superconductivity in noncentrosymmetric materials such as RhSi, CoSi, and AlPt which host coupled multifold nodes energetically split by the spin-orbit coupling at the same time-reversal-invariant momentum (TRIM). The topological superconductivity arises from the $s_{+} \oplus s_{-}$ gap function, which is $\boldsymbol{k}$ independent, but with opposite signs for the two nodes split at the same TRIM. We consider various electron-electron interactions in the tight-binding model for RhSi and find that the topological superconducting phase supporting a surface Majorana cone and topological nodal rings is favored in a wide range of interaction parameters.

Quasi-1D materials Bi$_{4}$X$_{4}$ (X=Br,I) are prototype weak topological insulators (TI) in the $\beta$ phase. For the $\alpha$ phases, recent high-throughput database screening suggests that Bi$_{4}$Br$_{4}$ is a rare higher-order TI (HOTI) whereas Bi$_{4}$I$_{4}$ has trivial symmetry indicators. Here we show that in fact the two $\alpha$ phases are both pristine HOTIs yet with distinct termination-dependent hinge state patterns by performing first-principles calculations, analyzing coupled-edge dimerizations, inspecting surface lattice structures, constructing tight-binding models, and establishing boundary topological invariants. We reveal that the location of inversion center dictates Bi$_{4}$Br$_{4}$ (Bi$_{4}$I$_{4}$) to feature opposite (the same) dimerizations of a surface or intrinsic (bulk or extrinsic) origin at two side cleavage surfaces. We propose a variety of experiments to examine our predictions. Given the superior hinges along atomic chains, the structural transition at room temperature, and the extreme anisotropies in three axes, our results not only imply the possible existence of many topological materials beyond the scope of symmetry indicators but also establish a new TI paradigm and a unique material platform for exploring the interplay of geometry, symmetry, topology, and interaction.

In this study, we develop a systematic weak localization/antilocalization theory fully considering the anisotropy and Berry phase of the system, and apply it to various phases of few-layer black phosphorus (BP), which has a highly anisotropic electronic structure with an electronic gap size tunable even to a negative value. The derivation of a Cooperon ansatz for the Bethe-Salpeter equation in a general anisotropic system is presented, revealing the existence of various quantum interference effects in different phases of few-layer BP, including a crossover from weak localization to antilocalization. We also predict that the magnetoconductivity at the semi-Dirac transition point will exhibit a nontrivial power-law dependence on the magnetic field, while following the conventional logarithmic field-dependence of 2D systems in the insulator and Dirac semimetal phases. Notably, the ratio between the magnetoconductivity and Boltzmann conductivity turns out to be independent of the direction, even in strongly anisotropic systems. Finally, we discuss the tunability of the quantum corrections of few-layer BP in terms of the symmetry class of the system.

For an isotropic single-band system, it is well known that the semiclassical Boltzmann transport theory within the relaxation time approximation and the Kubo formula with the vertex corrections provide the same result with the $(1-\cos\theta)$ factor in the inverse transport relaxation time. In anisotropic multiband systems, the semiclassical Boltzmann transport equation is generalized to coupled integral equations relating transport relaxation times at different angles in different bands. Using the Kubo formula, we study the vertex corrections to the dc conductivity in anisotropic multiband systems and derive the relation satisfied by the transport relaxation time for both elastic and inelastic scatterings, verifying that the result is consistent with the semiclassical approach.

Previously known three-dimensional Dirac semimetals (DSs) occur in two types -- topological DSs and nonsymmorphic DSs. Here we present a novel three-dimensional DS that exhibits both features of the topological and nonsymmorphic DSs. We introduce a minimal tight-binding model for the space group 100 that describes a layered crystal made of two-dimensional planes in the $p4g$ wallpaper group. Using this model, we demonstrate that double glide-mirrors allow a noncentrosymmetric three-dimensional DS that hosts both symmetry-enforced Dirac points at time-reversal invariant momenta and twofold-degenerate Weyl nodal lines on a glide-mirror-invariant plane in momentum space. The proposed DS allows for rich topological physics manifested in both topological surface states and topological phase diagrams, which we discuss in detail. We also perform first-principles calculations to predict that the proposed DS is realized in a set of existing materials BaLa$X$B$Y_5$, where $X$ = Cu or Au, and $Y$ = O, S, or Se.

Black phosphorus (BP) is a two-dimensional layered material composed of phosphorus atoms. Recently, it was demonstrated that external perturbations such as an electric field close the band gap in few-layer BP, and can even induce a band inversion, resulting in an insulator phase with a finite energy gap or a Dirac semimetal phase characterized by two separate Dirac nodes. At the transition between the two phases, a semi-Dirac state appears in which energy disperses linearly along one direction and quadratically along the other. In this work, we study the optical conductivity of few-layer BP using a lattice model and the corresponding continuum model, incorporating the effects of an external electric field and finite temperature. We find that the low-frequency optical conductivity scales a power law that differs depending on the phase, which can be utilized as an experimental signature of few-layer BP in different phases. We also systematically analyze the evolution of the material parameters as the electric field increases, and the consequence on the power-law behavior of the optical conductivity.

Black phosphorus (BP), a two-dimensional (2D) van der Waals layered material composed of phosphorus atoms, has been one of the most actively studied 2D materials in recent years due to its tunable energy band gap (tunable even to a negative value) and its highly anisotropic electronic structure. Depending on the sign of the band gap tuning parameter, few-layer BP can be in a gapped insulator phase, gapless Dirac semimetal phase, or gapless semi-Dirac transition point between the two phases. Using the fully anisotropic multiband Boltzmann transport theory, we systematically study the dc conductivity of few-layer BP as a function of the carrier density and temperature by varying the band gap tuning parameter, and determine the characteristic density and temperature dependence corresponding to each phase.

Understanding correlation effects in topological phases and their transitions is a cutting-edge area of research in recent condensed matter physics. We study topological quantum phase transitions (TQPTs) between double-Weyl semimetals (DWSMs) and insulators, and argue that a novel class of quantum criticality appears at the TQPT characterized by emergent anisotropic non-Fermi liquid behaviors, in which the interplay between the Coulomb interaction and electronic critical modes induces not only anisotropic renormalization of the Coulomb interaction but also strongly correlated electronic excitation in three spatial dimensions. Using the standard renormalization group methods, large $N_f$ theory and the $\epsilon= 4-d$ method with fermion flavor number $N_f$ and spatial dimension $d$, we obtain the anomalous dimensions of electrons ($\eta_f=0.366/N_f $) in large $N_f$ theory and the associated anisotropic scaling relations of various physical observables. Our results may be observed in candidate materials for DWSMs such as HgCr$_2$Se$_4$ or SrSi$_2$ when the system undergoes a TQPT.

The propagation of electrons in an orbital multiplet dispersing on a lattice can support anomalous transport phenomena deriving from an orbitally-induced Berry curvature. In striking contrast to the related situation in graphene, we find that anomalous transport for an $L=1$ multiplet on the primitive 2D triangular lattice is activated by easily implemented on-site and optically-tunable potentials. We demonstrate this for dynamics in a Bloch band where point degeneracies carrying opposite winding numbers are generically offset in energy, allowing both an anomalous charge Hall conductance with sign selected by off-resonance coupling to circularly-polarized light and a related anomalous orbital Hall conductance activated by layer buckling.

Dirac line node (DLN) semimetals are a class of topological semimetals that feature band-crossing lines in momentum space. We study the type-I and type-II classification of DLN semimetals by developing a criterion that determines the type using band velocities. Using first-principles calculations, we also predict that Na3N under an epitaxial tensile strain realizes a type-II DLN semimetal with vanishing spin-orbit coupling (SOC), characterized by the Berry phase that is Z2-quantized in the presence of inversion and time-reversal symmetries. The surface energy spectrum is calculated to demonstrate the topological phase, and the type-II nature is demonstrated by calculating the band velocities. We also develop a tight-binding model and a low-energy effective Hamiltonian that describe the low-energy electronic structure of strained Na3N. The occurrence of a DLN in Na3N under strain is captured in the optical conductivity, which we propose as a means to experimentally confirm the type-II class of the DLN semimetal.

We theoretically investigate the temperature-dependent static susceptibility and long-range magnetic coupling of three-dimensional (3D) chiral gapless electron-hole systems (semimetals) with arbitrary band dispersion [i.e., $\varepsilon(k) \sim k^N$, where $k$ is the wave vector and $N$ is a positive integer]. We study the magnetic properties of these systems in the presence of dilute random magnetic impurities. Assuming carrier-mediated Ruderman-Kittel-Kasuya-Yosida indirect exchange interaction, we find that the magnetic ordering of intrinsic 3D chiral semimetals in the presence of dilute magnetic impurities is ferromagnetic for all values of $N$. Using finite-temperature self-consistent field approximation, we calculate the ferromagnetic transition temperature ($T_{\rm c}$). We find that $T_{\rm c}$ increases with increasing $N$ due to the enhanced density of states, and the calculated $T_{\rm c}$ is experimentally accessible assuming reasonable coupling between the magnetic impurities and itinerant carriers.

For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon (e-ph) coupling can lead to the hybridizations of the exciton and the cavity photon known as polaritons, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped two-dimensional (2D) Dirac material such as the transition metal dichalcogenide (TMDC) MoS$_2$ or WSe$_2$. Specifically, in forming the polariton, the e-ph coupling from the optical selection rule due to the Berry phase can compete against the Coulomb electron-electron (e-e) interaction. We find that this competition gives rise to a rich phase diagram for the polariton condensate involving both topological and symmetry breaking phase transitions, with the former giving rise to the quantum anomalous Hall and the quantum spin Hall phases.

We study the frequency-dependent conductivity of nodal line semimetals (NLSMs), focusing on the effects of carrier density and energy dispersion on the nodal line. We find that the low-frequency conductivity has a rich spectral structure which can be understood using scaling rules derived from the geometry of their Dupin cyclide Fermi surfaces. We identify different frequency regimes, find scaling rules for the optical conductivity in each, and demonstrate them with numerical calculations of the inter- and intraband contributions to the optical conductivity using a low-energy model for a generic NLSM.

We calculate the temperature dependent long-range magnetic coupling in the presence of dilute concentrations of random magnetic impurities in chiral multilayer two-dimensional semimetals, i.e., undoped intrinsic multilayer graphene. Assuming a carrier-mediated indirect RKKY exchange interaction among the well-separated magnetic impurities with the itinerant carriers mediating the magnetic interaction between the impurities, we investigate the magnetic properties of intrinsic multilayer graphene using an effective chiral Hamiltonian model. We find that due to the enhanced density of states in the rhombohedral stacking sequence of graphene layers, the magnetic ordering of multilayer graphene is ferromagnetic in the continuum limit. The ferromagnetic transition temperature is calculated using a finite-temperature self-consistent field approximation and found to be within the experimentally accessible range for reasonable values of the impurity-carrier coupling.

Multi-Weyl semimetals (m-WSMs) are a new type of Weyl semimetal that have linear dispersion along one symmetry direction but anisotropic non-linear dispersion along the two transverse directions with a topological charge larger than one. Using the Boltzmann transport theory and fully incorporating the anisotropy of the system, we study the DC conductivity as a function of carrier density and temperature. We find that the characteristic density and temperature dependence of the transport coefficients at the level of Boltzmann theory are controlled by the topological charge of the multi-Weyl point and distinguish m-WSMs from their linear Weyl counterparts.

We analyze the ordered phases of Bernal stacked multilayer graphene in the presence of interaction induced band gaps due to sublattice symmetry breaking potentials, whose solutions can be analyzed in terms of light-mass and heavy-mass pseudospin doublets which have the same Chern numbers but opposite charge polarization directions. The application of a perpendicular external electric field reveals an effective Hund's rule for the ordering of the sublattice pseudospin doublets in a tetralayer, while a similar but more complex phase diagram develops with increasing layer number.

We calculate the transport properties of multilayer graphene, considering the effect of multisubband scattering in a high density regime, where higher subbands are occupied by charge carriers. To calculate the conductivity of multilayer graphene, we use the coupled multiband Boltzmann transport theory while fully incorporating the multiband scattering effects. We show that the allowed scattering channels, screening effects, chiral nature of the electronic structure, and type of impurity scatterings determine the transport behavior of multilayer graphene. We find that the conductivity of multilayer graphene shows a sudden change when the carriers begin to occupy the higher subbands, and therefore a large negative transconductance (NTC) appears as the carrier density varies. These phenomena arise mostly from the intersubband scattering and the change in the density of states at the band touching density. Based on our results, it is possible to build novel devices utilizing the large NTC in multilayer graphene.

Multi-Weyl semimetals are new types of Weyl semimetals which have anisotropic non-linear energy dispersion and a topological charge larger than one, thus exhibiting a unique quantum response. Using a unified lattice model, we calculate the optical conductivity numerically in the multi-Weyl semimetal phase and in its neighboring gapped states, and obtain the characteristic frequency dependence of each phase analytically using a low-energy continuum model. The frequency dependence of longitudinal and transverse optical conductivities obeys scaling relations that are derived from the winding number of the parent multi-Weyl semimetal phase and can be used to distinguish these electronic states of matter.

Rhombohedral multilayer graphene is a physical realization of the chiral two-dimensional electron gas that can host zero-line modes (ZLMs), also known as kink states, when the local ap opened by inversion symmetry breaking potential changes sign in real space. Here we study how the variations in the local stacking coordination of multilayer graphene affects the formation of the ZLMs. Our analysis indicates that the valley Hall effect develops whenever an interlayer potential difference is able to open up a band gap in stacking faulted multilayer graphene, and that ZLMs can appear at the domain walls separating two distinct regions with imperfect rhombohedral stacking configurations. Based on a tight-binding formulation with distant hopping terms between carbon atoms, we first show that topologically distinct domains characterized by the valley Chern number are separated by a metallic region connecting AA and AA$'$ stacking line in the layer translation vector space. We find that gapless states appear at the interface between the two stacking faulted domains with different layer translation or with opposite perpendicular electric field if their valley Chern numbers are different.

We investigate collective modes in three dimensional (3D) gapless multi-Weyl semimetals with anisotropic energy band dispersions (i.e., $E\sim \sqrt{ k_{\parallel}^{2J} + k_z^2}$, where $k_{\parallel}$ and $k_z$ are wave vectors and $J$ is a positive integer). For comparison, we also consider the gapless semimetals with the isotropic band dispersions (i.e., $E\sim k^J$). We calculate analytically long-wavelength plasma frequencies incorporating interband transitions and chiral properties of carriers. For both the isotropic and anisotropic cases, we find that interband transitions and chirality lead to the depolarization shift of plasma frequencies. For the isotropic parabolic band dispersion (i.e., $N=2$, $E\sim k^2$), the long-wavelength plasma frequencies lie outside the single particle excitation regions for all carrier densities, and thus the plasmons do not decay via Landau damping. For the higher-order band dispersions ($N \ge 3$) the long-wavelength plasmons experience damping below a critical density. For systems with the anisotropic dispersion the density dependence of the long-wavelength plasma frequency along the direction of non-linear dispersion behaves like that of the isotropic linear band model ($N=1$), while along the direction of linear dispersion it behaves like that of the isotropic non-linear model ($N \ge 2$). Plasmons along both directions remain undamped over a broad range of densities due to the chirality induced depolarization shift. Our results provide a comprehensive picture of how band dispersion and chirality affect plasmon behaviors in 3D gapless chiral systems with the arbitrary band dispersion.

Discovery of atomically thin black phosphorus (called phosphorene) holds promise to be used as an alternative two-dimensional material to graphene and transition metal dichalcogenides especially as an anode material for lithium-ion batteries (LIBs). However, at present bulk black phosphorus (BP) still suffers from rapid capacity fading that results in poor rechargeable performance. Here, for the first time, we use in situ transmission electron microscopy (TEM) to construct nanoscale phosphorene LIBs and visualize the capacity fading mechanism in thick multilayer phosphorene by real time capturing delithiation-induced structural decomposition that reduces electrical conductivity and thus causes irreversibility of lithiated Li3P phase. We further demonstrate that few-layer phosphorene successfully circumvents the structural decomposition and holds superior structural restorability, even subjected to multi-cycle lithiation/delithiation processes and concomitant huge volume expansion. This finding affords new experimental insights into thickness-dependent lithium diffusion kinetics in phosphorene. Additionally, a scalable liquid-phase shear exfoliation route has been developed to produce high-quality ultrathin (monolayer or few-layer) phosphorene, only by a high-speed shear mixer or even a household kitchen blender with the shear rate threshold, which will pave the way for potential large-scale applications in LIBs once the rechargeable phosphorene nanoscale batteries can be transferred to industrialized enlargement in the future.

We identify qualitative trends in the stacking sequence dependence of carrier-carrier interaction phenomena in multilayer graphene. Our theory is based on a new approach which explicitly exhibits the important role in interaction phenomena of the momentum-direction dependent intersite phases determined by the stacking sequence. Using this method, we calculate and compare the self-energies, density--density response functions, collective modes, and ground-state energies of several different few layer graphene systems. The influence of electron--electron interactions on important electronic properties can be understood in terms of competition between intraband exchange, interband exchange and correlation contributions that vary systematically with stacking arrangement.

We calculate the inelastic scattering rates and the hot electron inelastic mean free paths for both monolayer and bilayer graphene on a polar substrate. We study the quasiparticle self-energy by taking into account both electron-electron and electron-surface optical (SO) phonon interactions. In this calculation the leading order dynamic screening approximation (G$_0$W approximation) is used to obtain the quasiparticle self-energy by treating electrons and phonons on an equal footing. We find that the strong coupling between the SO phonon and plasmon leads to a new decay channel for the quasiparticle through the emission of the coupled mode, and gives rise to an abrupt increase in the scattering rate, which is absent in the uncoupled system. In monolayer graphene a single jump in the scattering rate occurs, arising from the emission of the low energy branch of the coupled plasmon-phonon modes. In bilayer graphene the emission of both low and high energy branches of the coupled modes contributes to the scattering rate and gives rise to two abrupt changes in the scattering rate. The jumps in the scattering rate can be potentially used in the hot electron device such as switching devices and oscillators.

A theory is developed for the density and temperature dependent carrier conductivity in doped three-dimensional (3D) Dirac materials focusing on resistive scattering from screened Coulomb disorder due to random charged impurities (e.g., dopant ions and unintentional background impurities). The theory applies both in the undoped intrinsic ("high-temperature", $T \gg T_F$) and the doped extrinsic ("low-temperature", $T \ll T_F$) limit with analytical scaling properties for the carrier conductivity obtained in both regimes, where $T_F$ is the Fermi temperature corresponding to the doped free carrier density (electrons or holes). The scaling properties describing how the conductivity depends on the density and temperature can be used to establish the Dirac nature of 3D systems through transport measurements. We also consider the temperature dependent conductivity limited by the acoustic phonon scattering in 3D Dirac materials. In addition, we theoretically calculate and compare the single particle relaxation time $\tas$, defining the quantum level broadening, and the transport scattering time $\tat$, defining the conductivity, in the presence of screened charged impurity scattering. A critical quantitative analysis of the $\tat/\tas$ results for 3D Dirac materials in the presence of long-range screened Coulomb disorder is provided.

We use a perturbative renormalization group approach with short-range continuum model interactions to analyze the competition between isotropic gapped and anisotropic gapless ordered states in bilayer graphene, commenting specifically on the role of exchange and on the importance of spin and valley flavor degeneracy. By comparing the divergences of the corresponding susceptibilities, we conclude that this approach predicts gapped states for flavor numbers N=1,2,4. We also comment briefly on the related gapped states expected in chiral (ABC) trilayer graphene.

We investigate temperature dependent transport properties of two-dimensional p-GaAs systems taking into account both hole-phonon and hole-impurity scattering effects. By analyzing the hole mobility data of p-GaAs in the temperature range 10 K$<T<$100 K, we estimate the value of the appropriate deformation potential for hole-phonon coupling. Due to the interplay between hole-phonon and hole-impurity scattering the calculated temperature-dependent resistivity shows interesting nonmonotonic behavior. In particular, we find that there is a temperature range (typically 2 K$<T<$10 K) in which the calculated resistivity becomes independent of temperature due to a subtle cancellation between the temperature dependent resistive scattering contributions arising from impurities and phonons. This resistivity saturation regime appears at low carrier densities when the increasing resistivity due to phonon scattering compensates for the decreasing resistivity due to the nondegeneracy effect. This temperature-independent flat resistivity regime is experimentally accessible and may have already been observed in a recent experiment.

We calculate the static polarizability of multilayer graphene and study the effect of stacking arrangement, carrier density, and onsite energy difference on graphene screening properties. At low densities, the energy spectrum of multilayer graphene is described by a set of chiral two-dimensional electron systems and the associated chiral nature determines the screening properties of multilayer graphene showing very different behavior depending on whether the chirality index is even or odd. As density increases, the energy spectrum follows that of the monolayer graphene and thus the polarizability approaches that of monolayer graphene. The qualitative dependence of graphene polarizability on chirality and layering indicates the possibility of distinct graphene quantum phases as a function of the chirality index.

We study the effects of disorder on bilayer graphene using four different microscopic models and directly compare their results. We compute the self-energy, density of states, and optical conductivity in the presence of short-ranged scatterers and screened Coulomb impurities, using both the Born approximation and self-consistent Born approximation for the self-energy. We also include a finite interlayer potential asymmetry which generates a gap between the valence and conduction bands. We find that the qualitative behavior of the two scattering potentials are similar, but that the choice of approximation for the self-energy leads to important differences near the band edge in the gapped case. Finally, we describe how these differences manifest in the measurement of the band gap in optical and transport experimental techniques.

We present an interpretation of recent experimental measurements of dmu/dn in suspended bilayer graphene samples. We demonstrate that the data may be quantitatively described by assuming a spatially varying band gap induced by local electric fields. We demonstrate that the gap fluctuations vary amongst different samples and that the gap fluctuations are correlated with the associated charge density fluctuations, indicating that the mechanism causing this effect is likely to be an extrinsic effect. We also provide predictions for the optical conductivity and mobility of suspended bilayer graphene samples with small band gaps.

Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting band gaps of multilayer graphene ribbons whose edges are saturated with molecular hydrogen (H$_2$) or hydroxyl (OH) groups. We discuss the similarities and differences of computed features in comparison with the atomic hydrogen (or H-) saturated ribbons and flakes. For H$_2$ edge-saturation, we find \emphshifted labeling of three armchair ribbon classes and magnetic to non-magnetic transition in narrow zigzag ribbons whose critical width changes with the number of layers. Other computed characteristics, such as the existence of a critical gap and external electric field behavior, layer dependent electronic structure, stacking-dependent band gap induction and the length confinement effects remain qualitatively same with those of H-saturated ribbons.

We discuss the effect of disorder on the band gap measured in bilayer graphene in optical and transport experiments. By calculating the optical conductivity and density of states using a microscopic model in the presence of disorder, we demonstrate that the gap associated with transport experiments is smaller than that associated with optical experiments. Intrinsic bilayer graphene has an optical conductivity in which the energy of the peaks associated with the interband transition are very robust against disorder and thus provide an estimate of the band gap. In contrast, extraction of the band gap from the optical conductivity of extrinsic bilayer graphene is almost impossible for significant levels of disorder due to the ambiguity of the transition peaks. The density of states contains an upper bound on the gap measured in transport experiments, and disorder has the effect of reducing this gap which explains why these experiments have so far been unable to replicate the large band gaps seen in optical measurements.

A vortex gyrating in a magnetic disk has two regimes of motion in the presence of disorder. At large gyration amplitudes, the vortex core moves quasi-freely through the disorder potential. As the amplitude decreases, the core can become pinned at a particular point in the potential and precess with a significantly increased frequency. In the pinned regime, the amplitude of the gyration decreases more rapidly than it does at larger precession amplitudes in the quasi-free regime. In part, this decreased decay time is due to an increase in the effective damping constant and in part due to geometric distortion of the vortex. A simple model with a single pinning potential illustrates these two contributions.

The carrier density distributions in few-layer-graphene systems grown on the carbon face of silicon carbide can be altered by the presence of a scanning tunneling microscope (STM) tip used to probe top-layer electronic properties, and by a perpendicular magnetic field which induces well-defined Landau levels. Hartree approximation calculations in the perpendicular field case show that charge tends to rearrange between the layers so that the filling factors of most layers are pinned at integer values. We use our analysis to provide insight into the role of buried layers in recent few-layer-graphene STM studies and discuss the limitations of our model.

We calculate the conductivity of arbitrarily stacked multilayer graphene sheets within a relaxation time approximation, considering both short-range and long-range impurities. We theoretically investigate the feasibility of identifying the stacking order of these multilayers using transport measurements. For relatively clean samples, the conductivities of the various stacking configurations depend on the carrier density as a power-law for over two decades. This dependence arises from a low density decomposition of the multilayer band structure into a sum of chiral Hamiltonians. For dirty samples, the simple power-law relationship no longer holds. Nonetheless, identification of the number of layers and stacking sequence is still possible by careful comparison of experimental data to the results presented here.

We develop a theory for the temperature and density dependence of phonon-limited resistivity $\rho(T)$ in bilayer and multilayer graphene, and compare with the corresponding monolayer result. For the unscreened case, we find $\rho \approx C T$ with $C \propto v_{\rm F}^{-2}$ in the high-temperature limit, and $\rho \approx A T^4$ with $A \propto v_{\rm F}^{-2} k_{\rm F}^{-3}$ in the low-temperature Bloch-Grüneisen limit, where $v_{\rm F}$ and $k_{\rm F}$ are Fermi velocity and Fermi wavevector, respectively. If screening effects are taken into account, $\rho \approx C T$ in the high-temperature limit with a renormalized $C$ which is a function of the screening length, and $\rho \approx A T^6$ in the low-temperature limit with $A \propto k_{\rm F}^{-5}$ but independent of $v_{\rm F}$. These relations hold in general with $v_{\rm F}$ and a chiral factor in $C$ determined by the specific chiral band structure for a given density.

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We consider two types of edges (armchair and zigzag), each with two edge alignments (referred to as alpha- and beta-alignments). We show that, as in monolayer and bilayer armchair nanoribbons, multilayer armchair nanoribbons exhibit three classes of energy gaps which decrease with increasing width. Nonmagnetic multilayer zigzag nanoribbons have band structures that are sensitive to the edge alignments and the number of layers, indicating different magnetic properties and resulting energy gaps. We find that energy gaps can be induced in ABC-stacked ribbons with a perpendicular external electric field while in other stacking sequences, the gaps decrease or remain closed as the external electric field increases.

The ABC-stacked N-layer-graphene family of two-dimensional electron systems is described at low energies by two remarkably flat bands with Bloch states that have strongly momentum-dependent phase differences between carbon pi-orbital amplitudes on different layers, and large associated momentum space Berry phases. These properties are most easily understood using a simplified model with only nearest-neighbor inter-layer hopping which leads to gapless semiconductor electronic structure, with p^N dispersion in both conduction and valence bands. We report on a study of the electronic band structures of trilayers which uses ab initio density functional theory and k*p theory to fit the parameters of a pi-band tight-binding model. We find that when remote interlayer hopping is retained, the triple Dirac point of the simplified model is split into three single Dirac points located along the three KM directions. External potential differences between top and bottom layers are strongly screened by charge transfer within the trilayer, but still open an energy gap at overall neutrality.

Experimental measurements of domain wall propagation are typically interpreted by comparison to reduced models that ignore both the effects of disorder and the internal dynamics of the domain wall structure. Using micromagnetic simulations, we study vortex wall propagation in magnetic nanowires induced by fields or currents in the presence of disorder. We show that the disorder leads to increases and decreases in the domain wall velocity depending on the conditions. These results can be understood in terms of an effective damping that increases as disorder increases. As a domain wall moves through disorder, internal degrees of freedom get excited, increasing the energy dissipation rate.

We study the effect of magnetism and perpendicular external electric field strengths on the energy gap of length confined bilayer graphene nanoribbons (or nanoflakes) as a function of ribbon width and length using a \textitfirst principles density functional electronic structure method and a semi-local exchange-correlation approximation. We assume AB (Bernal) bilayer stacking and consider both armchair and zigzag edges, and for each edge type, we consider the two edge alignments, namely, $\alpha$ and $\beta$ edge alignment. For the armchair nanoflakes we identify three distinct classes of bilayer energy gaps, determined by the number of carbon chains in the width direction (\it N = 3\it p, 3\it p+1 and 3\it p+2, \it p is an integer), and the gaps decrease with increasing width except for class 3\it p+2 armchair nanoribbons. Metallic-like behavior seen in armchair bilayer nanoribbons are found to be absent in armchair nanoflakes. Class 3\it p+2 armchair nanoflakes show significant length dependence. We find that the gaps decrease with the applied electric fields due to large intrinsic gap of the nanoflake. The existence of a critical gap with respect to the applied field, therefore, is not predicted by our calculations. Magnetism between the layers plays a major role in enhancing the gap values resulting from the geometrical confinement, hinting at an interplay of magnetism and geometrical confinement in finite size bilayer graphene.

Electrons most often organize into Fermi-liquid states in which electron-electron interactions play an inessential role. A well known exception is the case of one-dimensional (1D) electron systems (1DES). In 1D the electron Fermi-surface consists of points, and divergences associated with low-energy particle-hole excitations abound when electron-electron interactions are described perturbatively. In higher space dimensions, the corresponding divergences occur only when Fermi lines or surfaces satisfy idealized nesting conditions. In this article we discuss electron-electron interactions in 2D graphene bilayer systems which behave in many ways as if they were one-dimensional, because they have Fermi points instead of Fermi lines and because their particle-hole energies have a quadratic dispersion which compensates for the difference between 1D and 2D phase space. We conclude, on the basis of a perturbative RG calculation similar to that commonly employed in 1D systems, that interactions in neutral graphene bilayers can drive the system into a strong-coupling broken symmetry state with layer-pseudospin ferromagnetism and an energy gap.

We show that the origin of the universal optical conductivity in a normal $N$-layer graphene multilayer is an emergent chiral symmetry which guarantees that $\sigma(\omega)=N\sigma_{uni}$ in both low and high frequency limits. [$\sigma_{uni}=(\pi/2) e^2/h$]. We use this physics to relate intermediate frequency conductivity trends to qualitative characteristics of the multilayer stacking sequence.

We address the electronic structure of quantum wells in polar-nonpolar oxide heterojunction systems focusing on the case of non-polar BaVO$_3$ wells surrounded by polar LaTiO$_3$ barriers. Our discussion is based on a density functional description using the local spin density approximation with local correlation corrections (LSDA+U). We conclude that a variety of quite different two-dimensional electron systems can occur at interfaces between insulating materials depending on band line-ups and on the geometrical arrangement of polarity discontinuities.

The influence of screening on the condensed state of bilayer graphene is studied within the framework of the Thomas Fermi approximation. We find that screening has little effect on the Kosterlitz-Thouless temperature in the strongly interacting regime. Furthermore, we predict that the phase transition to the condensed state is first order.

We study the electronic structure of multilayer graphene using a $\pi$-orbital continuum model with nearest-neighbor intralayer and interlayer tunneling. Using degenerate state perturbation theory, we show that the low-energy electronic structure of arbitrarily stacked graphene multilayers consists of chiral pseudospin doublets with a conserved chirality sum.

Because graphene is an atomically two-dimensional gapless semiconductor with nearly identical conduction and valence bands, graphene-based bilayers are attractive candidates for high-temperature electron-hole pair condensation. We present estimates which suggest that the Kosterlitz-Thouless temperatures of these two-dimensional counterflow superfluids can approach room temperature.

Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the layers. We assume AB (Bernal) stacking and consider both armchair and zigzag edges and two edge alignments distinguished by a 60$^o$ rotation of one layer with respect to the other. Armchair ribbons exhibit three classes of bilayer gaps which decrease with increasing ribbon width. An external electric field between the layers increases the gap in narrow ribbons and decreases the gap for wide ribbons, a property which can be understood semi-analytically using a $\pi$-band tight-binding model and perturbation theory. The magnetic properties of zigzag edge ribbons are different for the two different edge alignments, and not robust for all exchange-correlation approximations considered. Bilayer ribbon gaps are sensitive to the presence or absence of magnetism.

We show that the low-energy electronic structure of arbitrarily stacked graphene multilayers with nearest-neighbor interlayer tunneling consists of chiral pseudospin doublets. Although the number of doublets in an $N$-layer system depends on the stacking sequence, the pseudospin chirality sum is always $N$. $N$-layer stacks have $N$ distinct Landau levels at E=0 for each spin and valley, and quantized Hall conductivity $\sigma_{xy} = \pm(4 e^2/h)(N/2+n)$ where $n$ is a non-negative integer.

We predict that neutral graphene bilayers are pseudospin magnets in which the charge density-contribution from each valley and spin spontaneously shifts to one of the two layers. The band structure of this system is characterized by a momentum-space vortex which is responsible for unusual competition between band and kinetic energies leading to symmetry breaking in the vortex core. We discuss the possibility of realizing a pseudospin version of ferromagnetic metal spintronics in graphene bilayers based on hysteresis associated with this broken symmetry.

We study the gate voltage induced gap that occurs in graphene bilayers using \textitab initio density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We discuss enhanced screening of the external interlayer potential at small gate voltages, which is more pronounced in the \textitab initio calculations, and quantify the role of crystalline inhomogeneity using a tight-binding model self-consistent Hartree calculation.

Starting from a microscopic tight-binding model and using second order perturbation theory, we derive explicit expressions for the intrinsic and Rashba spin-orbit interaction induced gaps in the Dirac-like low-energy band structure of an isolated graphene sheet. The Rashba interaction parameter is first order in the atomic carbon spin-orbit coupling strength $\xi$ and first order in the external electric field $E$ perpendicular to the graphene plane, whereas the intrinsic spin-orbit interaction which survives at E=0 is second order in $\xi$. The spin-orbit terms in the low-energy effective Hamiltonian have the form proposed recently by Kane and Mele. \textitAb initio electronic structure calculations were performed as a partial check on the validity of the tight-binding model.

Graphene has an unusual low-energy band structure with four chiral bands and half-quantized and quantized Hall effects that have recently attracted theoretical and experimental attention. We study the Fermi energy and disorder dependence of its spin Hall conductivity. In the metallic regime we find that vertex corrections enhance the intrinsic spin Hall conductivity and that skew scattering can lead to its values that exceed the quantized ones expected when the chemical potential is inside the spin-orbit induced energy gap. We predict that large spin Hall conductivities will be observable in graphene even when the spin-orbit gap does not survive disorder.