Selenium is the only easily vitrified elementary substance. Numerous experimental studies of glassy Se ($g$-Se) at high pressures show a large spread in the data on the compressibility and electrical resistivity of $g$-Se. Furthermore, H. Liu *et al.* [Proc. Natl. Acad. Sci. USA **105**, 13229 (2008)] have ar...

[Phys. Rev. B 96, 134111] Published Tue Oct 17, 2017

]]>We report on the experimental observation of topologically protected edge waves in a two-dimensional elastic hexagonal lattice. The lattice is designed to feature $K$-point Dirac cones that are well separated from the other numerous elastic wave modes characterizing this continuous structure. We explo...

[Phys. Rev. B 96, 134307] Published Tue Oct 17, 2017

]]>Fully spin-polarized hole current is theoretically proposed to be generated by photoexcitation in the impurity states of the $\mathrm{Mo}{\mathrm{S}}_{2}$ monolayer with sulfur partially substituted by copper. To understand the dynamics of the photogenerated spin hole current, we perform a time-domain *ab initio* nonadiabatic...

[Phys. Rev. B 96, 134308] Published Tue Oct 17, 2017

]]>Spin accumulation generated by the anomalous Hall effect (AHE) in mesoscopic ferromagnetic $\mathrm{N}{\mathrm{i}}_{81}\mathrm{F}{\mathrm{e}}_{19}$ (permalloy, Py) films is detected electrically by a nonlocal method. The reciprocal phenomenon, the inverse spin Hall effect (ISHE), can also be generated and detected all electrically in the same str...

[Phys. Rev. B 96, 134418] Published Tue Oct 17, 2017

]]>We present measurements of the spin Hall effect (SHE) in AuW and AuTa alloys for a large range of W or Ta concentrations by combining experiments on lateral spin valves and ferromagnetic-resonance/spin-pumping techniques. The main result is the identification of a large enhancement of the spin Hall ...

[Phys. Rev. B 96, 140405(R)] Published Tue Oct 17, 2017

]]>We present the phase diagram of a 2D isotropic triangular Heisenberg antiferromagnet in a magnetic field. We consider spin-$S$ model with nearest-neighbor (${J}_{1}$) and next-nearest-neighbor (${J}_{2}$) interactions. We focus on the range of $1/8<{J}_{2}/{J}_{1}<1$, where the ordered states are different from those in ...

[Phys. Rev. B 96, 140406(R)] Published Tue Oct 17, 2017

]]>We report a study on the superconducting pairing mechanism of FeSe via the pair-breaking effects induced by ${\mathrm{H}}^{+}$ irradiation combined with low-temperature specific heat measurements. A multigap structure with nodes or gap minima is suggested in a clean FeSe by the specific heat results. The suppressio...

[Phys. Rev. B 96, 140505(R)] Published Tue Oct 17, 2017

]]>We study Anderson localization in a generalized discrete-time quantum walk—a unitary map related to a Floquet driven quantum lattice. It is controlled by a quantum coin matrix which depends on four angles with the meaning of potential and kinetic energy, and external and internal synthetic flux. Suc...

[Phys. Rev. B 96, 144204] Published Tue Oct 17, 2017

]]>We calculate the oxygen $K$-edge x-ray magnetic circular dichroism (XMCD) spectra of ${\mathrm{CrO}}_{2}$ to investigate the origin of light-element XMCD. The XMCD spectra evaluated by using a multiple scattering theory are interpreted in terms of the spin-orbit interaction (SOI) at each atomic site. We find that the...

[Phys. Rev. B 96, 144419] Published Tue Oct 17, 2017

]]>The structural, magnetic, and electronic properties of ${\mathrm{NdFe}}_{0.5}{\mathrm{Mn}}_{0.5}{\mathrm{O}}_{3}$ have been studied in a comprehensive manner using various experimental and theoretical methods. Mn/Fe sublattice of the compound orders into a G-type antiferromagnetic phase close to 250 K where the magnetic structure belongs to ${\mathrm{\Gamma}}_{\mathrm{...}}$

[Phys. Rev. B 96, 144420] Published Tue Oct 17, 2017

]]>We present real-time inchworm quantum Monte Carlo results for single-site dynamical mean field theory on an infinite coordination number Bethe lattice. Our numerically exact results are obtained on the L-shaped Keldysh contour and, being evaluated in real time, avoid the analytic continuation issues...

[Phys. Rev. B 96, 155126] Published Tue Oct 17, 2017

]]>We develop methods to probe the excitation spectrum of topological phases of matter in two spatial dimensions. Applying these to the Fibonacci string nets perturbed away from exact solvability, we analyze a topological phase transition driven by the condensation of non-Abelian anyons. Our numerical ...

[Phys. Rev. B 96, 155127] Published Tue Oct 17, 2017

]]>We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some freq...

[Phys. Rev. B 96, 155128] Published Tue Oct 17, 2017

]]>The search for new materials based on computational screening relies on methods that accurately predict, in an automatic manner, total energy, atomic-scale geometries, and other fundamental characteristics of materials. Many technologically important material properties directly stem from the electr...

[Phys. Rev. B 96, 155207] Published Tue Oct 17, 2017

]]>A quasiparticle band structure of a single layer $2H\text{\u2212}{\mathrm{NbSe}}_{2}$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation met...

[Phys. Rev. B 96, 155439] Published Tue Oct 17, 2017

]]>The magnetic anisotropy, exchange couplings, and spin-driven ferroelectricity in recently discovered multiferroic oxide $\alpha -{\mathrm{Cu}}_{2}{\mathrm{V}}_{2}{\mathrm{O}}_{7}$ have been investigated using first-principles calculation and symmetry analysis. Density functional theory (DFT) calculations predict easy $a$-axis anisotropy, while applyi...

[Phys. Rev. B 96, 165132] Published Tue Oct 17, 2017

]]>Dirac and Weyl fermions appear as quasiparticle excitations in many different condensed-matter systems. They display various quantum transitions which represent unconventional universality classes related to the variants of the Gross-Neveu model. In this paper we study the bosonized version of the s...

[Phys. Rev. B 96, 165133] Published Tue Oct 17, 2017

]]>The electronic structure of WTe${}_{2}$ and of orthorhombic $\gamma $-MoTe${}_{2}$ are theoretically claimed to contain pairs of Weyl type-II points associated with linearly touching electron and hole pockets. A series of recent angle-resolved photoemission spectroscopy (ARPES) experiments claims to observe general agreement with these predictions. Here, the authors report a de Haas–van Alphen study on $\gamma $-MoTe${}_{2}$ which, in contrast to ARPES and predictions, finds a simpler and more isotropic Fermi surface. Upon the guidance of ARPES, they show here that it is possible to explain the observed Fermi surface geometry by an independent displacement of the theoretical electron and hole bands relative to the Fermi level. However, this $a\phantom{\rule{0}{0ex}}d$ $h\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}c$ procedure, previously used by a number of groups, suppresses the crossings between electron and hole bands and hence the predicted Weyl type-II points.

[Phys. Rev. B 96, 165134] Published Tue Oct 17, 2017

]]>We describe a theoretical approach to finding spontaneously symmetry-broken electronic phases due to strong electronic interactions when using recently developed slave-particle (slave-boson) approaches based on occupation numbers. We describe why, to date, spontaneous symmetry breaking has proven di...

[Phys. Rev. B 96, 165135] Published Tue Oct 17, 2017

]]>Since the up-conversion phenomenon in rare-earths (REs) doped ${\mathrm{NaYF}}_{4}$ is strongly affected by the crystal electric field (CF), determining the CF parameters, wave functions, and scheme of the energy levels of the RE $J$ multiplets could be crucial to improve and tune the up-conversion efficiency. In thi...

[Phys. Rev. B 96, 165430] Published Tue Oct 17, 2017

]]>The high carrier mobility of graphene makes it an attractive material for electronics, however, graphene's application for optoelectronic systems is limited due to its low optical absorption. We present a cavity-coupled nanopatterned graphene absorber designed to sustain temporal and spatial overlap...

[Phys. Rev. B 96, 165431] Published Tue Oct 17, 2017

]]>Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but ${\mathrm{L}1}_{0}$ and ${\mathrm{L}1}_{2}$ orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in this alloy by combining density functional theory (DFT) calculations ...

[Phys. Rev. B 96, 134109] Published Mon Oct 16, 2017

]]>We present *in situ* high-pressure synchrotron x-ray diffraction (XRD) and electrical transport measurements on quasi-one-dimensional single-crystal $\mathrm{Ti}{\mathrm{S}}_{3}$ up to 29.9–39.0 GPa in diamond-anvil cells, coupled with first-principles calculations. Counterintuitively, the conductive behavior of semiconductor...

[Phys. Rev. B 96, 134110] Published Mon Oct 16, 2017

]]>We present an analytical theory of domain-wall tilt due to a transverse in-plane magnetic field in a ferromagnetic nanostrip with out-of-plane anisotropy and Dzyaloshinskii-Moriya interaction (DMI). The theory treats the domain walls as one-dimensional objects with orientation-dependent energy, whic...

[Phys. Rev. B 96, 134417] Published Mon Oct 16, 2017

]]>We study angular-dependent magnetoresistance in iron-based superconductors ${\mathrm{Ba}}_{1-x}{\mathrm{Na}}_{x}{\mathrm{Fe}}_{2}{\mathrm{As}}_{2}$ and ${\mathrm{FeTe}}_{1-x}{\mathrm{Se}}_{x}$. Both superconductors have relatively small anisotropies $\gamma \sim 2$ and exhibit a three-dimensional (3D) behavior at low temperatures. However, we observe that they start to exhibit a profound two-dimen...

[Phys. Rev. B 96, 134512] Published Mon Oct 16, 2017

]]>We derive the theoretical and numerical framework for investigating nonequilibrium properties of spin-orbit coupled wires with Zeeman splitting proximized by a superconductor in the nonlinear diffusive regime. We demonstrate that the anisotropic behavior of triplet Cooper pairs in this system leads ...

[Phys. Rev. B 96, 134513] Published Mon Oct 16, 2017

]]>We report our *ab initio* pseudopotential results for the structural, electronic, vibrational, and electron-phonon interaction properties of the cubic Laves-phase compounds ${\mathrm{CaIr}}_{2}$ and ${\mathrm{CaRh}}_{2}$. While the spin-orbit coupling (SOC) does not result in any appreciable changes in structural parameters, it lift...

[Phys. Rev. B 96, 134514] Published Mon Oct 16, 2017

]]>Artificial ice systems have unique physical properties that are promising for potential applications. One of the most challenging issues in this field is to find novel ice systems that allow precise control over the geometries and many-body interactions. Superconducting vortex matter has been propos...

[Phys. Rev. B 96, 134515] Published Mon Oct 16, 2017

]]>Scandium hydrides at high pressures have been investigated by using *ab initio* density functional calculations. Although the stable scandium hydride so far known to have the highest content rate of hydrogen is ${\mathrm{ScH}}_{3}$, other more hydrogen-rich compounds are found to be possible at high pressures. These ...

[Phys. Rev. B 96, 144108] Published Mon Oct 16, 2017

]]>Using all-electron density functional theory, we have performed an *ab initio* study on x-ray absorption spectra of highly compressed polystyrene (CH). We found that the $K$-edge shifts in strongly coupled, degenerate polystyrene cannot be explained by existing continuum-lowering models adopted in tradi...

[Phys. Rev. B 96, 144203] Published Mon Oct 16, 2017

]]>We report on THz time-domain spectroscopy on multiferroic ${\mathrm{GeV}}_{4}{\mathrm{S}}_{8}$, which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low...

[Phys. Rev. B 96, 144418] Published Mon Oct 16, 2017

]]>We analyze quantum criticality at finite temperature for a class of non-Fermi liquids with massless bosons. Finite temperature gives rise to new infrared singularities that invalidate standard perturbative treatments. We show how such divergences are resolved at a nonperturbative level, and obtain t...

[Phys. Rev. B 96, 144508] Published Mon Oct 16, 2017

]]>To understand the rich electronic phase diagram in FeSe under pressure that vividly demonstrates the strong interplay between the nematicity, magnetism, and superconductivity, we analyze the electronic states by including the higher-order many-body effects called the vertex correction (VC). We predi...

[Phys. Rev. B 96, 144509] Published Mon Oct 16, 2017

]]>Inspired by recent experiments, we study a short superconducting junction of length $L\ll \xi $ (coherence length) inserted in a dc-SQUID containing an ancillary Josephson tunnel junction. We evaluate the nonequilibrium occupation of the Andreev bound states (ABS) for the case of a conventional junction and...

[Phys. Rev. B 96, 144510] Published Mon Oct 16, 2017

]]>Isolated Weyl cones in a disordered environment do not show the phenomenon of Anderson localization due to the absence of backscattering processes. However, besides the conventional three dimensional diffusive metal, an additional semimetallic phase can form. In this paper we study the effect of til...

[Phys. Rev. B 96, 155121] Published Mon Oct 16, 2017

]]>Chern insulators exhibit fascinating properties, which originate from the topologically nontrivial state characterized by the Chern number. How these properties change if the system is quenched between topologically distinct phases is, however, not fully understood. In this paper, we investigate the...

[Phys. Rev. B 96, 155122] Published Mon Oct 16, 2017

]]>Topological ordered phases are related to changes in the properties of their quasiparticle excitations (anyons). We study these relations in the framework of projected entanglement pair states and show how condensing and confining anyons reduces a local gauge symmetry to a global on-site symmetry. W...

[Phys. Rev. B 96, 155123] Published Mon Oct 16, 2017

]]>Hexagonal FeSe thin films were grown on $\mathrm{SrTi}{\mathrm{O}}_{3}$ substrates and the temperature and thickness dependence of their electronic structures were studied. The hexagonal FeSe is found to be metallic, with a Fermi surface consisting of six elliptical electron pockets. With decreased temperature, parts of the...

[Phys. Rev. B 96, 155124] Published Mon Oct 16, 2017

]]>We show that the fermionic and bosonic spectrum of $d=2$ fermions at finite density coupled to a critical boson can be determined nonperturbatively in the combined limit ${k}_{F}\to \infty ,\phantom{\rule{0.16em}{0ex}}{N}_{f}\to 0$ with ${N}_{f}{k}_{F}$ fixed. In this double scaling limit, the boson two-point function is corrected but only at one loop. This double...

[Phys. Rev. B 96, 155125] Published Mon Oct 16, 2017

]]>Contact of a spherical tip with a flat elastic substrate is simulated with a Green's-function method that includes atomic structure at the interface while capturing elastic deformation in a semi-infinite substrate. The tip and substrate have identical crystal structures with nearest-neighbor spacing...

[Phys. Rev. B 96, 155436] Published Mon Oct 16, 2017

]]>In this work we conduct a close-up investigation into the nature of near-field heat transfer (NFHT) of two graphene sheets in parallel-plate geometry. We develop a fully microscopic and quantum approach using the nonequilibrium Green's function method. A Caroli formula for heat flux is proposed and ...

[Phys. Rev. B 96, 155437] Published Mon Oct 16, 2017

]]>It has been shown that long-range $p$-wave superconductivity in a Kitaev chain can be engineered via an ac field with a high frequency [M. Benito *et al.*, Phys. Rev. B **90**, 205127 (2014)]. For its experimental realization, however, theoretical understanding of Floquet engineering with a broader range o...

[Phys. Rev. B 96, 155438] Published Mon Oct 16, 2017

]]>We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal $K$ edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model ($d\text{\u2212}p$ model) for a typical insulating cuprate ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$. For the antiferromagnetic ground state withi...

[Phys. Rev. B 96, 165128] Published Mon Oct 16, 2017

]]>We study the concept of entanglement distance between two quantum states, which quantifies the amount of information shared between their reduced density matrices (RDMs). Using analytical arguments combined with density-matrix renormalization group (DMRG) and exact diagonalization (ED) calculations,...

[Phys. Rev. B 96, 165129] Published Mon Oct 16, 2017

]]>We present a systematic density functional theory (DFT) plus Hubbard $U$ study of structural trends and the stability of different magnetically ordered states across the rare-earth nickelate series, $R{\mathrm{NiO}}_{3}$, with $R$ from Lu to La. In particular, we investigate how the magnetic order, the change of the ra...

[Phys. Rev. B 96, 165130] Published Mon Oct 16, 2017

]]>The phase stabilities and ordering tendencies in the quaternary full-Heusler alloys NiCoMnAl and NiCoMnGa have been investigated by *in situ* neutron diffraction, calorimetry, and magnetization measurements. NiCoMnGa was found to adopt the $\mathrm{L}{2}_{1}$ structure, with distinct Mn and Ga sublattices but a commo...

[Phys. Rev. B 96, 165131] Published Mon Oct 16, 2017

]]>The study of Weyl semimetals (WSMs) lies at the forefront of the nontrivial topological phenomena in condensed-matter physics. In this work, we study the effect of on-site repulsive Hubbard interaction on the WSM system with a nonzero tilt at half filling. Within the Hartree-Fock mean-field approxim...

[Phys. Rev. B 96, 165203] Published Mon Oct 16, 2017

]]>Using first-principles computations, we discuss topological properties of germanene in buckled as well as planar honeycombs with asymmetric passivation via hydrogen and nitrogen (GeHN) atoms. GeHN in the planar structure is found to harbor a quantum anomalous Hall (QAH) insulator phase. Our analysis...

[Phys. Rev. B 96, 165426] Published Mon Oct 16, 2017

]]>Near-field thermal radiation mediated by surface plasmons in parallel graphene nanodisk dimers is studied using a semianalytical model under the electrostatic approximation. The radiative heat transfer between two disks as a function of the distance between them in coaxial and coplanar configuration...

[Phys. Rev. B 96, 165427] Published Mon Oct 16, 2017

]]>The thermal radiation properties of guided surface plasmons in one-dimensional co-planar graphene nanodisk arrays are predicted using a semi-analytical electrostatic model. The plasmonic band structure contains nonlocalized dispersion bands that are well-described by the electrostatic model for disk...

[Phys. Rev. B 96, 165428] Published Mon Oct 16, 2017

]]>Two-particle backscattering in time-reversal-invariant interacting helical electron systems can lead to the formation of quasiparticles with charge $e/2$. We propose a way to detect such states by means of the Josephson effect in the presence of proximity-induced superconductivity. In this case, the e...

[Phys. Rev. B 96, 165429] Published Mon Oct 16, 2017

]]>Relaxor ferroelectric materials, such as $\mathrm{Pb}\left[{\left(\mathrm{M}{\mathrm{g}}_{0.33}\mathrm{N}{\mathrm{b}}_{0.67}\right)}_{1\text{\u2212}x}\mathrm{T}{\mathrm{i}}_{x}\right]{\mathrm{O}}_{3}$ (PMN-PT) with generic stoichiometry, undergo a ferroelectric-to-paraelectric phase transition as a function of temperature. The exact transition characterized by Curie temperature (${T}_{c}$) varies as a function of chemistry ($x$), i.e., th...

[Phys. Rev. B 96, 134108] Published Fri Oct 13, 2017

]]>Ferromagnets perturbed by time-dependent fields are technologically important examples of nonequilibrium physics. Using kinetic Monte Carlo simulations and droplet theory of magnetization reversal, the authors explain recent experiments on ordered uniaxial ferromagnetic films driven by oscillating fields. The associated dynamic phase transition at a critical field period is known to be in the equilibrium Ising universality class. Consistent with experiments, the authors find that the response to a constant bias field in the supercritical period limit differs from an equilibrium ferromagnet above criticality in that, instead of a wide central susceptibility maximum, side bands are observed, which are shown to result from stochastic resonance.

[Phys. Rev. B 96, 134306] Published Fri Oct 13, 2017

]]>A 1D anharmonic chain with a single impurity particle is used to study the vibrational energy localization. Numerical and asymptotic solutions for the symmetric anharmonic localized mode are both presented. The numerical results reveal that the energy localization strengthens with decreasing impurit...

[Phys. Rev. B 96, 144107] Published Fri Oct 13, 2017

]]>We present low-temperature transport measurements of ${\mathrm{C}}_{60}$-based single-molecule transistors fabricated using ferromagnetic break junction devices with planar elliptical leads, revealing a gate-modulated single-channel spin-$\frac{1}{2}$ Kondo effect. The shape anisotropy and dipole interaction of the source and...

[Phys. Rev. B 96, 144416] Published Fri Oct 13, 2017

]]>Neutron diffraction and muon spin relaxation ($\mu \mathrm{SR}$) studies are presented for the newly characterized polymorph of ${\mathrm{NiNb}}_{2}{\mathrm{O}}_{6}(\beta -{\mathrm{NiNb}}_{2}{\mathrm{O}}_{6})$ with space group ${P4}_{2}/n$ and $\mu \mathrm{SR}$ data only for the previously known columbite structure polymorph with space group $Pbcn$. The magnetic structure of the ${P4}_{2}/n$ form was de...

[Phys. Rev. B 96, 144417] Published Fri Oct 13, 2017

]]>Periodically driven systems have recently been shown to host topological phases that are inherently dynamical in character, opening up a new arena in which to explore topological physics. One important group of such phases, known as Floquet topological insulators, arise in systems of free fermions and exhibit protected topological edge modes analogous to the edge modes of static topological insulators. In this work, the authors use methods from K theory to provide a complete topological classification of Floquet topological phases of this kind. The main result is a periodic table for Floquet topological insulators, which may be viewed as a time-dependent extension of the periodic table of topological insulators and superconductors originally introduced by Alexei Kitaev.

[Phys. Rev. B 96, 155118] Published Fri Oct 13, 2017

]]>We investigate in detail antiferromagnetic (AF) and superconducting (SC) phases as well as their coexistence in the two-dimensional Kondo lattice model on a square lattice, which is a paradigmatic model for heavy-fermion materials. The results presented are mainly obtained using the variational clus...

[Phys. Rev. B 96, 155119] Published Fri Oct 13, 2017

]]>Due to the presence of strong correlations, theoretical or experimental investigations of quantum many-body systems belong to the most challenging tasks in modern physics. Stimulated by tensor networks, we propose a scheme of constructing the few-body models that can be easily accessed by theoretica...

[Phys. Rev. B 96, 155120] Published Fri Oct 13, 2017

]]>We discuss the universal spin dynamics in quasi-one-dimensional systems including the real spin in narrow-gap semiconductors like InAs and InSb, the valley pseudospin in staggered single-layer graphene, and the combination of real spin and valley pseudospin characterizing single-layer transition met...

[Phys. Rev. B 96, 155304] Published Fri Oct 13, 2017

]]>We report the emergence of electronic edge states in time-periodically driven strained armchair terminated graphene nanoribbons. This is done by considering a short-pulse spatial-periodic strain field. Then, the tight-binding Hamiltonian of the system is mapped into a one-dimensional ladder. The tim...

[Phys. Rev. B 96, 155435] Published Fri Oct 13, 2017

]]>Resonant microwave absorption of a two-dimensional electron system in an AlGaAs/GaAs heterostructure excited by a near-field technique was investigated. Along with collective magnetoplasmon modes, we observed resonance that precisely follows the cyclotron resonance (CR) position and revealed no sign...

[Phys. Rev. B 96, 161405(R)] Published Fri Oct 13, 2017

]]>A topological Weyl semimetal (TWS) is a metal where low-energy excitations behave like Weyl fermions of high-energy physics. Recently, it was shown that, due to the lower symmetry of condensed-matter systems, they can realize two distinct types of Weyl fermions. The type-I Weyl fermion in a metal is...

[Phys. Rev. B 96, 165125] Published Fri Oct 13, 2017

]]>A new kind of spin-one chain Hamiltonian consisting of competing dimer and trimer projection operators is proposed. As the relative strengths and signs of the interactions are varied, the model exhibits a number of different phases including the gapped dimer phase and the gapless trimer phase with c...

[Phys. Rev. B 96, 165126] Published Fri Oct 13, 2017

]]>High quality single crystals of ${\mathrm{BaBiO}}_{3}$ were grown by congruent melting technique and characterized with x-ray diffraction, x-ray photoemission, and transport property studies. The perovskite oxide ${\mathrm{BaBiO}}_{3}$ is a negative charge transfer gap high ${T}_{c}$ oxide parent superconducting compound exhibiting self-...

[Phys. Rev. B 96, 165127] Published Fri Oct 13, 2017

]]>The anomalous Hall effect is classified into two effects based on the mechanism. The first one is the intrinsic Hall effect due to the Berry curvature in momentum space. This is a Hall effect that solely arises from the band structure of solids. On the other hand, another contribution to the Hall ef...

[Phys. Rev. B 96, 165202] Published Fri Oct 13, 2017

]]>The thermal response of graphene is expected to be extremely fast due to its low heat capacity and high thermal conductivity. In this work, the thermal response of suspended single-layer graphene membranes is investigated by characterization of their mechanical motion in response to a high-frequency...

[Phys. Rev. B 96, 165421] Published Fri Oct 13, 2017

]]>Employing a Keldysh-Eilenberger technique, we theoretically study the generation of a spontaneous supercurrent and the appearance of the ${\phi}_{0}$ phase shift parallel to uniformly in-plane magnetized superconducting interfaces made of the surface states of a three-dimensional topological insulator. We con...

[Phys. Rev. B 96, 165422] Published Fri Oct 13, 2017

]]>The state of a single particle injected onto the surface of the Fermi sea is a pure state if the temperature is zero and is a mixed state if the temperature is finite. Moreover, the state of an injected particle is orthogonal to the state of the Fermi sea at zero temperature, while it is not orthogo...

[Phys. Rev. B 96, 165423] Published Fri Oct 13, 2017

]]>Graphene on a substrate with a topological line defect possesses chiral edge states that exhibit linear dispersion and have opposite Fermi velocities for two valleys. The chiral edge states are localized at the line defect. With the presence of Rashba spin-orbital coupling, the dispersion of the chi...

[Phys. Rev. B 96, 165424] Published Fri Oct 13, 2017

]]>This study observes microwave beam splitting dependent on circular polarizations through nonuniform chiral metamaterials. Nonuniform chiral metamaterials with a gradation in refractive index are constructed using chiral meta-atoms that exhibit optical activities at microwave frequencies. Microwave s...

[Phys. Rev. B 96, 165425] Published Fri Oct 13, 2017

]]>We show that frustrated exchange interactions could stabilize chiral states in a chiral ferromagnet by considering the competition between ferromagnetic (FM) nearest-neighbor (NN) interaction and antiferromagnetic (AFM) next-nearest-neighbor (NNN) interaction. In the low-field regime, a multisublatt...

[Phys. Rev. B 96, 134415] Published Thu Oct 12, 2017

]]>Exchange magnetic coupling between Fe electrodes through a thin MgO interlayer in epitaxial junctions has been investigated as a function of temperature, MgO thickness, and interface quality. Depending on the MgO thickness, which has been varied from 1.5 to 4 monolayers, two opposite temperature dep...

[Phys. Rev. B 96, 134416] Published Thu Oct 12, 2017

]]>Recent transport experiments in the cuprate superconductors linked the opening of the pseudogap to a change in electronic dispersion [S. Badoux *et al.*, Nature (London) **531**, 210 (2015)]. Transport measurements showed that the carrier density sharply changes from $x$ to $1+x$ at the pseudogap critical dop...

[Phys. Rev. B 96, 134511] Published Thu Oct 12, 2017

]]>${\mathrm{Bi}}_{3}{\mathrm{Mn}}_{4}{\mathrm{O}}_{12}\left({\mathrm{NO}}_{3}\right)$ (BMNO) is a honeycomb bilayers antiferromagnet, not showing any ordering down to very low temperatures despite having a relatively large Curie-Weiss temperature. Using *ab initio* density functional theory, we extract an effective spin Hamiltonian for this compound. The proposed spin Ha...

[Phys. Rev. B 96, 140404(R)] Published Thu Oct 12, 2017

]]>We report on the determination of the full magnetic structure of ${\mathrm{Tb}}_{2}{\mathrm{Ir}}_{2}{\mathrm{O}}_{7}$ including the Ir sublattice by means of powder neutron diffraction. Below ${T}_{N}\sim 125\phantom{\rule{0.28em}{0ex}}\mathrm{K}$, both the Tb and the Ir sublattices order in a so-called all-in/all-out magnetic structure. However, additional magnetic intensity appears below...

[Phys. Rev. B 96, 144415] Published Thu Oct 12, 2017

]]>Materials showing anisotropic magnetocaloric effects could open the way for new designs of magnetic cooling. In the paper by Jin *et al.* [Phys. Rev. B **83**, 184431 (2011)], a rotating magnetocaloric effect was pointed out in $\mathrm{TbMn}{\mathrm{O}}_{3}$ single crystals. The reported effect arises from the rotation of $\mathrm{TbMn}{\mathrm{O}}_{3}$...

[Phys. Rev. B 96, 146401] Published Thu Oct 12, 2017

]]>We comment on the recent work [N. Harrison *et al.*, Phys. Rev. B **92**, 224505 (2015)] which attempts to explain the sign reversal and quantum oscillations of the Hall coefficient observed in cuprates from a single-nodal diamond-shaped electron pocket with concave arc segments. Given the importance of ...

[Phys. Rev. B 96, 146501] Published Thu Oct 12, 2017

]]>We provide arguments relating to those recently made in a comment by Chakravarty and Wang, who question the validity of our proposed charge-density wave Fermi surface reconstruction model and its relation to sign changes in the Hall effect. First, we show that the form of rounding of the vertices (i...

[Phys. Rev. B 96, 146502] Published Thu Oct 12, 2017

]]>The evolution of the electronic properties of guest Na and Rb atoms in a disordered deformable lattice is investigated for a series of guest-atom densities $n$. The quasi-two-dimensional host ${M}_{7.8-\delta}{\mathrm{Al}}_{7.8}{\mathrm{Si}}_{8.2}{\mathrm{O}}_{32.0}$ ($M$=Na, Rb), known as zeolite P, is used. The Na system is a stubborn bipolaronic insulat...

[Phys. Rev. B 96, 155115] Published Thu Oct 12, 2017

]]>The two-channel Kondo impurity model realizes a local non-Fermi-liquid state with finite residual entropy. The competition between the two channels drives the system to an impurity quantum critical point. We show that the out-of-time-ordered (OTO) commutator for the impurity spin reveals markedly di...

[Phys. Rev. B 96, 155116] Published Thu Oct 12, 2017

]]>Optical conductivity (OC) can serve as a measure of correlation effects in a wide range of condensed-matter systems. We show that the long-range tail of the Coulomb interaction yields a universal correction to the OC in a three-dimensional Weyl semimetal $\sigma \left(\mathrm{\Omega}\right)={\sigma}_{0}\left(\mathrm{\Omega}\right)\left[1+\frac{1}{N+1}\right]$, where ${\sigma}_{0}\left(\mathrm{\Omega}\right)=N{e}_{0}^{2}\mathrm{\Omega}/\left(12hv\right)$ is...

[Phys. Rev. B 96, 155117] Published Thu Oct 12, 2017

]]>In classical Kretschmann-Raether configuration, the minimum appearing in reflectance is conventionally attributed to the resonance on a surface plasmon polariton of the metal/dielectric interface. The hypothesis about resonance on the subsystem plasmon polariton arises from the theory of eigenwave c...

[Phys. Rev. B 96, 155433] Published Thu Oct 12, 2017

]]>Knowing the band structure of materials is one of the prerequisites to understanding their properties. Therefore, angle-resolved photoemission spectroscopy (ARPES) has become a highly demanded experimental tool to investigate the band structure. However, especially in thin film materials with a laye...

[Phys. Rev. B 96, 155434] Published Thu Oct 12, 2017

]]>$\alpha $-RuCl${}_{3}$ is the most promising candidate for the long-sought materialization of the Kitaev model, where compasslike exchange interactions lead to a gapless spin liquid with emergent Majorana fermion excitations. Prerequisite for these expectations is that the symmetry-imposed noncubic crystal field is smaller compared to the spin-orbit coupling and does not perturb significantly the description of the electronic ground state in terms of the ${J}_{\text{eff}}$ = 1/2 state. Here, the authors combine polarization-dependent x-ray absorption spectroscopy, a technique that gives direct access to the crystal field of a material, and full multiplet calculations to determine the size and sign of the noncubic crystal-field splitting. The results demonstrate that the “electronically cubic conditions” and the ${J}_{\text{eff}}$ = 1/2 ground state for Ru in $\alpha $-RuCl${}_{3}$ are fulfilled.

[Phys. Rev. B 96, 161107(R)] Published Thu Oct 12, 2017

]]>Fractional topological insulators (FTIs) are electronic topological phases in $(3+1)$ dimensions enriched by time reversal (TR) and charge $U\left(1\right)$ conservation symmetries. We focus on the simplest series of fermionic FTIs, whose bulk quasiparticles consist of deconfined partons that carry fractional elec...

[Phys. Rev. B 96, 161108(R)] Published Thu Oct 12, 2017

]]>We construct the symmetric-gapped surface states of a fractional topological insulator with an electromagnetic $\theta $ angle ${\theta}_{\text{em}}=\frac{\pi}{3}$ and a discrete ${\mathbb{Z}}_{3}$ gauge field. They are the proper generalizations of the T-Pfaffian state and Pfaffian/antisemion state and feature an extended periodicity compared with the...

[Phys. Rev. B 96, 161109(R)] Published Thu Oct 12, 2017

]]>We report on the discovery of a pressure-induced topological and superconducting phase of SnSe, a material which attracts much attention recently due to its superior thermoelectric properties. *In situ* high-pressure electrical transport and synchrotron x-ray diffraction measurements show that the sup...

[Phys. Rev. B 96, 165123] Published Thu Oct 12, 2017

]]>The authors present a unified perspective on a large class of one-dimensional symmetry-protected topological phases. Characterizing critical points between such phases leads to a conjecture of a topological lower bound on the central charge in terms of the phase-specific edge mode dimension.

[Phys. Rev. B 96, 165124] Published Thu Oct 12, 2017

]]>The electronic properties of single-layer ${\mathrm{MoS}}_{2}$ make it an ideal two-dimensional (2D) material for application in electronic devices. Experiments show that ${\mathrm{MoS}}_{2}$ can undergo structural phase transitions. Applications of single-layer ${\mathrm{MoS}}_{2}$ will require firm laboratory control over the phase formation. H...

[Phys. Rev. B 96, 165305] Published Thu Oct 12, 2017

]]>Using first-principles calculations, we predict a new type of partially hydrogenated graphene system, ${\mathrm{C}}_{3}{\mathrm{H}}_{2}$, which turns out to be a semiconductor with a band gap of 3.56 eV. The bands are rather flat at the band edges and thus lead to a large density of states, which further results in strong optica...

[Phys. Rev. B 96, 165420] Published Thu Oct 12, 2017

]]>The spatiotemporal dynamics of the spin transition have been thoroughly investigated in single crystals of the mononuclear spin-crossover (SCO) complex $\left[\mathrm{Fe}\left(\mathrm{HB}\right(\mathrm{tz}{)}_{3}{)}_{2}\right]$ ($\mathrm{tz}=1,2$,4-triazol-1-yl) by optical microscopy. This compound exhibits an abrupt spin transition centered at 334 K with a narrow therm...

[Phys. Rev. B 96, 134106] Published Wed Oct 11, 2017

]]>Using the conventional macroscopic description of the bulk photovoltaic effect we analyze the light-induced currents and electric fields arising in the optical configuration with a continuous bottom electrode and a small circular top electrode. This scheme is relevant to recent experiments on the ti...

[Phys. Rev. B 96, 134107] Published Wed Oct 11, 2017

]]>Quantum tunneling is ubiquitous across different fields, from quantum chemical reactions and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for high-dimensional systems, quantum tunneling also shows up in qua...

[Phys. Rev. B 96, 134305] Published Wed Oct 11, 2017

]]>We obtain stochastic dynamics from a system-plus-bath mechanism as an extension of the Caldeira-Leggett (CL) model in the classical regime. An effective magnetic field and response functions with both longitudinal and transverse parts are exactly generated from the bath of harmonic oscillators. The ...

[Phys. Rev. B 96, 134414] Published Wed Oct 11, 2017

]]>We report a detailed single-crystal and powder neutron diffraction study of ${\mathrm{Co}}_{2}{\mathrm{TiO}}_{4}$ and ${\mathrm{Co}}_{2}{\mathrm{SnO}}_{4}$ between the temperature 1.6 and 80 K to probe the spin structure in the ground state. For both compounds the strongest magnetic intensity was observed for the (111)${}_{\text{M}}$ reflection due to ferrimagnetic orderi...

[Phys. Rev. B 96, 144104] Published Wed Oct 11, 2017

]]>Through high-pressure Raman spectroscopy and x-ray diffraction experiments, we have investigated the formation, stability field, and structure of hydrogen iodide (HI). Hydrogen iodide is synthesized by the reaction of molecular hydrogen and iodine at room temperature and at a pressure of 0.2 GPa. Up...

[Phys. Rev. B 96, 144105] Published Wed Oct 11, 2017

]]>Hexagonal boron nitride (hBN) is a wide-band-gap semiconductor with applications including gate insulation layers in graphene transistors, far-ultraviolet light emitting devices and as hydrogen storage media. Due to its complex microstructure, defects in hBN are challenging to identify. Here, we com...

[Phys. Rev. B 96, 144106] Published Wed Oct 11, 2017

]]>Hot-electron dynamics at metal surfaces are crucial for charge transport properties and chemical reactions at metal/organic interfaces. In order to study the influence of electron-donating adsorbates on hot-electron lifetimes we performed femtosecond time-resolved two-photon photoemission measuremen...

[Phys. Rev. B 96, 144304] Published Wed Oct 11, 2017

]]>We develop high-temperature series expansions for the thermodynamic properties of the honeycomb-lattice Kitaev-Heisenberg model. Numerical results for uniform susceptibility, heat capacity, and entropy as a function of temperature for different values of the Kitaev coupling $K$ and Heisenberg exchange...

[Phys. Rev. B 96, 144414] Published Wed Oct 11, 2017

]]>