We report a high-pressure study of monoclinic monazite-type $\mathrm{SrCr}{\mathrm{O}}_{4}$ up to 26 GPa. Therein we combined x-ray diffraction, Raman, and optical-absorption measurements with *ab initio* calculations, to find a pressure-induced structural phase transition of $\mathrm{SrCr}{\mathrm{O}}_{4}$ near 8–9 GPa. Evidence of a second phase tr…

[Phys. Rev. B 94, 134108] Published Thu Oct 20, 2016

]]>The orbital magnetic susceptibility of an electron gas in a periodic potential depends not only on the zero field energy spectrum but also on the geometric structure of cell-periodic Bloch states which encodes interband effects. In addition to the Berry curvature, we explicitly relate the orbital su…

[Phys. Rev. B 94, 134423] Published Thu Oct 20, 2016

]]>We study the magnetization dynamics of thin-film magnetic elements with in-plane magnetization subject to a spin current flowing perpendicular to the film plane. We derive a reduced partial differential equation for the in-plane magnetization angle in a weakly damped regime. We then apply this model…

[Phys. Rev. B 94, 144425] Published Thu Oct 20, 2016

]]>The pyrovanadate $\alpha -{\mathrm{Cu}}_{2}{\mathrm{V}}_{2}{\mathrm{O}}_{7}$ belongs to the orthorhombic ($Fdd2$) class of crystals with noncentrosymmetric crystal structure. Recently, the compound has been identified to be a magnetic multiferroic with a substantial electric polarization below the magnetic transition temperature ${T}_{C}$ = 35 K. Here we re…

[Phys. Rev. B 94, 144426] Published Thu Oct 20, 2016

]]>We study the hitherto unaddressed phenomenon of the quantum Hall effect with a magnetic and electric field oscillating in time with resonant frequencies. This phenomenon highlights an example of a heterodyne device with the magnetic field acting as a driving force, and it is analyzed in detail in it…

[Phys. Rev. B 94, 155133] Published Thu Oct 20, 2016

]]>Motivated by recent advances in cold atomic systems, we study the equilibrium and quench properties of two-dimensional fermions with quadratic band touching at the Fermi level, in the presence of infinitely long-range interactions. Unlike when only short-range interactions are present, both nematic …

[Phys. Rev. B 94, 155134] Published Thu Oct 20, 2016

]]>We report a detail theoretical study of the electronic structure and phase stability of transition metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic $B1$ structure by employing dynamical mean-field theory of correlated electrons combined with *ab initio* band-structure methods. Our calcula…

[Phys. Rev. B 94, 155135] Published Thu Oct 20, 2016

]]>Formulating consistent theories describing strongly correlated metallic topological phases is an outstanding problem in condensed-matter physics. In this work, we derive a theory defining a fractionalized analog of the Weyl semimetal state: the fractional chiral metal. Our approach is to construct a…

[Phys. Rev. B 94, 155136] Published Thu Oct 20, 2016

]]>We investigate through an atomistic method the effects of anharmonicity on the dispersion of flexural modes of graphene. Using a calculation based on ensemble averages of correlations among displacements and forces, we calculate the temperature-dependent frequencies for a semiempirical potential for…

[Phys. Rev. B 94, 155434] Published Thu Oct 20, 2016

]]>We present a Raman scattering study of optical phonons in hexagonal BN for temperatures ranging from 80 to 600 K. The experiments were performed on high-quality, single-crystalline hexagonal BN platelets. The observed temperature dependence of the frequencies and linewidths of both Raman active ${E}_{2g}$ …

[Phys. Rev. B 94, 155435] Published Thu Oct 20, 2016

]]>We study features of thermoelectric transport through a one-dimensional topological system model hosting Majorana bound states (MBSs) at its ends. We describe the behavior of the Seebeck coefficient and the $ZT$ figure of merit for two configurations between the MBS and normal current leads. We find a…

[Phys. Rev. B 94, 155436] Published Thu Oct 20, 2016

]]>Understanding the behavior of light in nonequilibrium scenarios underpins much of quantum optics and optical physics. While lasers provide a severe example of a nonequilibrium problem, recent interests in the near-equilibrium physics of so-called photon gases, such as in Bose condensation of light o…

[Phys. Rev. B 94, 155437] Published Thu Oct 20, 2016

]]>Topological insulators have been attracting much attention as potential candidates for spintronic applications. Spin-momentum-locked surface states can lead to spin current naturally accompanied by electric charge current. As a way to control the current, circularly polarized photon injection has been widely used as the photon can excite spin-polarized carriers selectively depending on the photon’s helicity. Here, the authors investigate the helicity-dependent photocarrier dynamics in an unbiased Bi${}_{2}$Se${}_{3}$ thin film by monitoring the terahertz pulse emitted from the sample after illumination by femtosecond laser pulses. Although all the measurements were performed on an unbiased sample with no electrical contacts, the authors observe three-fold periodic helicity-dependent terahertz emission, and attribute such circular anisotropy in the photocurrent to the circular photon drag effect, namely linear and angular momentum transfer from photons to photocarriers.

[Phys. Rev. B 94, 161405(R)] Published Thu Oct 20, 2016

]]>We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux *et al.*, Nature (London) **531**, 489 (2016)], and their descriptions require mor…

[Phys. Rev. B 94, 165147] Published Thu Oct 20, 2016

]]>Recent reports have demonstrated the ${Z}_{2}$ topological property of the superconductor ${\mathrm{PbTaSe}}_{2}$ (${T}_{c}\sim 3.8$ K). ${\mathrm{PbTaSe}}_{2}$ simultaneously exhibits superconductivity and nontrivial ${Z}_{2}$ topology without the need for doping or proximity effect. Scanning tunneling microscopy confirms that the topological surface sta…

[Phys. Rev. B 94, 165148] Published Thu Oct 20, 2016

]]>In the search for an accurate and computationally efficient approximation to the exact exchange potential of Kohn-Sham density functional theory, we recently compared various semilocal exchange potentials to the exact one [F. Tran *et al.*, Phys. Rev. B **91**, 165121 (2015)]. It was concluded that the B…

[Phys. Rev. B 94, 165149] Published Thu Oct 20, 2016

]]>We study the dynamics of quantum three-level systems due to fast fluctuations of their environment (white noise). As an example, we model the decoherence and dephasing of nitrogen-vacancy (NV) centers in diamond that are positioned near a surface that gives rise to quickly fluctuating magnetic field…

[Phys. Rev. B 94, 134107] Published Wed Oct 19, 2016

]]>Group-VI monochalcogenides are attracting a great deal of attention due to their peculiar anisotropic properties. Very recently, it has been suggested that GeS could act as a promissory absorbing material with high input-output ratios, which are relevant features for designing prospective optoelectr…

[Phys. Rev. B 94, 134306] Published Wed Oct 19, 2016

]]>We investigate the structural modulations induced by optical excitation of a polar phonon mode in ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7}$ using first-principles calculations based on density functional theory. We focus on the intense-excitation regime in which we expect that fourth-order phonon-phonon coupling terms dominate and…

[Phys. Rev. B 94, 134307] Published Wed Oct 19, 2016

]]>Barium titanate (${\mathrm{BaTiO}}_{3}$) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this paper, we develop a classical interatomic potential for ${\mathrm{BaTiO}}_{3}$ within the framework of the bond-valence theory. Th…

[Phys. Rev. B 94, 134308] Published Wed Oct 19, 2016

]]>In conventional $s$-wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an ${s}_{\pm}$ order parameter they can occur for both magnetic and nonmagnetic impurities. Impurity bound states in superconductors can thus provide important insight into the order parameter. Here, w…

[Phys. Rev. B 94, 134515] Published Wed Oct 19, 2016

]]>We investigate spin transport through metallic antiferromagnets using measurements based on spin pumping combined with inverse spin Hall effects in $\mathrm{N}{\mathrm{i}}_{80}\mathrm{F}{\mathrm{e}}_{20}/\mathrm{FeMn}/\mathrm{W}$ trilayers. The relatively large magnitude and opposite sign of spin Hall effects in W compared to FeMn enable an unambiguous detection o…

[Phys. Rev. B 94, 140412(R)] Published Wed Oct 19, 2016

]]>We present a theoretical study of the nonlocal anomalous Hall effect induced by heavy-metal impurities in dilute magnetic alloys based on noble metals. The results of our first-principles calculations are shown in comparison to those obtained within a model consideration via Matthiessen's rule. Base…

[Phys. Rev. B 94, 140413(R)] Published Wed Oct 19, 2016

]]>A system driven in the vicinity of its critical point by varying a relevant field in an arbitrary function of time is a generic system that possesses a long relaxation time compared with the driving time scale and thus represents a large class of nonequilibrium systems. For such a manifestly nonline…

[Phys. Rev. B 94, 144103] Published Wed Oct 19, 2016

]]>A small angle neutron inelastic scattering measurement has been performed to study the magnon dispersion relation in the field-induced ferromagnetic phase of the noncentrosymmetric binary compound MnSi. For the magnons propagating parallel or antiparallel to the external magnetic field, we experimen…

[Phys. Rev. B 94, 144420] Published Wed Oct 19, 2016

]]>Exotic conditions for the existence and evolution of nonlinear spin ensembles (domain walls, spin solitons, skyrmions) in molecular-based magnets are incarnated in the macroscopic response of magnetization corresponding to collective stochastic behavior. The molecular ferrimagnet ${\mathrm{K}}_{0.4}\left[\mathrm{Cr}{\left(\mathrm{CN}\right)}_{6}\right][\mathrm{Mn}(\mathrm{R}/\mathrm{\dots}$

[Phys. Rev. B 94, 144421] Published Wed Oct 19, 2016

]]>We use the Boltzmann transport theory in the relaxation time approximation to describe the thermal transport of spin waves in a ferromagnet. By treating spin waves as magnon excitations we are able to compute analytically and numerically the coefficients of the constitutive thermomagnetic transport …

[Phys. Rev. B 94, 144422] Published Wed Oct 19, 2016

]]>In this paper, we report experimental evidence of anomalous and planar Righi-Leduc effects on $\mathrm{NiFe}$. The Righi-Leduc effect is the thermal analog of the Hall effect, in which the electric current is replaced by the heat current and the electric field by the temperature gradient. When the material is …

[Phys. Rev. B 94, 144423] Published Wed Oct 19, 2016

]]>The critical behavior of the cubic helimagnet FeGe was obtained from isothermal magnetization data in very close vicinity of the ordering temperature. A thorough and consistent scaling analysis of these data revealed the critical exponents $\beta =0.368,\phantom{\rule{0.16em}{0ex}}\gamma =1.382$, and $\delta =4.787$. The anomaly in the specific he…

[Phys. Rev. B 94, 144424] Published Wed Oct 19, 2016

]]>We present a path integral Monte Carlo study of the global superfluid fraction and local superfluid density in cylindrically symmetric reservoirs of liquid ${}^{4}\mathrm{He}$ separated by nanoaperture arrays. The superfluid response to both translations along the axis of symmetry (longitudinal response) and rotati…

[Phys. Rev. B 94, 144510] Published Wed Oct 19, 2016

]]>We carried out ${}^{101}\mathrm{Ru}$ nuclear quadrupole resonance (NQR) measurement on superconducting (SC) ${\mathrm{Sr}}_{2}{\mathrm{RuO}}_{4}$ under zero magnetic field $(H=0)$ and found that the nuclear spin-spin relaxation rate $1/{T}_{2}$ is enhanced in the SC state. The $1/{T}_{2}$ measurement in the SC state under $H=0$ is effective for detecting slow ma…

[Phys. Rev. B 94, 144511] Published Wed Oct 19, 2016

]]>We study the effects of charge self-consistency within the combination of density functional theory (DFT; wien2k) with dynamical mean field theory (DMFT; w2dynamics) in a basis of maximally localized Wannier orbitals. Using the example of two cuprates, we demonstrate that even if there is only a sin…

[Phys. Rev. B 94, 155131] Published Wed Oct 19, 2016

]]>We show that a series of transition metals with strained body-centered cubic lattice—W, Ta, Nb, and Mo—hosts surface states that are topologically protected by mirror symmetry and, thus, exhibits nonzero topological invariants. These findings extend the class of topologically nontrivial systems by t…

[Phys. Rev. B 94, 155132] Published Wed Oct 19, 2016

]]>The neutral excitations in two-dimensional electron systems (2DES) confined at ${\mathrm{Mg}}_{x}{\mathrm{Zn}}_{1-x}\mathrm{O}/\text{ZnO}$ heterojunctions were studied by a resonant inelastic light scattering (ILS) technique. At zero magnetic field the ILS spectra of intra- and intersubband collective excitations are detected in the wavelength …

[Phys. Rev. B 94, 155204] Published Wed Oct 19, 2016

]]>We show that a local measurement of temperature and voltage for a quantum system in steady state, arbitrarily far from equilibrium, with arbitrary interactions within the system, is unique when it exists. This is interpreted as a consequence of the second law of thermodynamics. We further derive a n…

[Phys. Rev. B 94, 155433] Published Wed Oct 19, 2016

]]>A nonperturbative interaction of an electronic system with a laser field can substantially modify its physical properties. In particular, in two-dimensional (2D) materials with a lack of inversion symmetry, the achievement of a regime of strong light-matter coupling allows direct optical tuning of t…

[Phys. Rev. B 94, 161404(R)] Published Wed Oct 19, 2016

]]>We discuss the low-energy physics of the three-orbital Anderson impurity model with the Coulomb interaction term of the Kanamori form which has orbital SO(3) and spin SU(2) symmetry and describes systems with partially occupied ${t}_{2g}$ shells. We focus on the case with two electrons in the impurity that…

[Phys. Rev. B 94, 165140] Published Wed Oct 19, 2016

]]>We investigate the Peierls-Feynman-Bogoliubov variational principle to map Hubbard models with nonlocal interactions to effective models with only local interactions. We study the renormalization of the local interaction induced by nearest-neighbor interaction and assess the quality of the effective…

[Phys. Rev. B 94, 165141] Published Wed Oct 19, 2016

]]>Classification of symmetry-protected topological phases such as the topological superconductor (TSC) is well known in the free fermion picture. Recently, it was observed that including many-body interactions that preserves symmetry gives rise to novel surface phases and breaks down the classification scheme. A complete understanding of the microscopic theory for such phases is missing. This paper is an attempt to understand the interaction that gives rise to these phases in the case of the three-dimensional TSC. The authors build a coupled wire model Hamiltonian for the gapless surface and show that the addition of a time-reversal symmetric two-body interaction, constructed in this paper, opens an energy gap in the spectrum. They also show this gapped surface phase is topologically nontrivial and is classified differently compared to the noninteracting case.

[Phys. Rev. B 94, 165142] Published Wed Oct 19, 2016

]]>Depopulation of the ${\mathrm{Mn}}^{2+}$ state in ZnO:Mn upon illumination, monitored by quenching of the ${\mathrm{Mn}}^{2+}$ EPR signal intensity, was observed at temperatures below 80 K. ${\mathrm{Mn}}^{2+}$ photoquenching is shown to result from the ${\mathrm{Mn}}^{2+}\phantom{\rule{4pt}{0ex}}\to \phantom{\rule{4pt}{0ex}}{\mathrm{Mn}}^{3+}$ ionization transition, promoting one electron to the conduction band. Temperature de…

[Phys. Rev. B 94, 165143] Published Wed Oct 19, 2016

]]>Motivated by experimental observation of the Kondo-enhanced Andreev transport [R. S. Deacon *et al.*, Phys. Rev. B **81**, 121308(R) (2010)] in a hybrid normal metal–quantum dot–superconductor (N-QD-S) device, we theoretically study the Kondo effect in such a device and clarify the different roles played…

[Phys. Rev. B 94, 165144] Published Wed Oct 19, 2016

]]>The layered ternary compound ${\mathrm{TaIrTe}}_{4}$ has been predicted to be a type-II Weyl semimetal with only four Weyl points just above the Fermi energy. Performing magnetotransport measurements on this material we find that the resistivity does not saturate for fields up to 70 T and follows a $\rho \sim {B}^{1.5}$ dependenc…

[Phys. Rev. B 94, 165145] Published Wed Oct 19, 2016

]]>Weyl semimetals make up a novel three-dimensional topological phase of matter. Among their most fascinating properties is the existence of a very peculiar type of surface bound state. Contrary to common topological materials, the surface Fermi surface of a Weyl system consists of disconnected arcs – the so-called Fermi arcs – instead of a closed surface. These Fermi arcs connect the projected position of band crossings in their bulk band structure. The Weyl phase typically arises from a symmetry-protected topological insulator upon spontaneously breaking one of the protecting symmetries. In the case of the pyrochlores, the magnetic momenta inside the constituting Ir tetrahedra break time-reversal symmetry, so the pyrochlores are considered magnetic Weyl semimetals. Here, the authors show theoretically that the nontrivial spin polarization of the surface Fermi arcs of a magnetic Weyl semimetal provide characteristic feature observable via spin-resolved scanning tunneling microscopy (STM). They analyze the Fourier transform (FT) of Friedel oscillations in the local density of states occurring due to scattering by localized magnetic and nonmagnetic impurities. They note that the FT features inherit traces of the disconnected nature of the Fermi surface and the spin rotation happening on the Fermi arcs.

[Phys. Rev. B 94, 165146] Published Wed Oct 19, 2016

]]>We consider indirect excitons generated at the ring-shaped boundaries between electron- and hole-rich regions in semiconductor quantum wells (QW's). We show theoretically that the in-plane translational motion of the excitons is confined in the radial direction. The confinement potential results fro…

[Phys. Rev. B 94, 165308] Published Wed Oct 19, 2016

]]>We report on the observation of optical activity of quantum wells resulting in the conversion of the light polarization state controlled by the light propagation direction. The polarization conversion is detected in reflection measurements. We show that a pure $s$-polarized light incident on a quantum…

[Phys. Rev. B 94, 165309] Published Wed Oct 19, 2016

]]>Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in …

[Phys. Rev. B 94, 165423] Published Wed Oct 19, 2016

]]>Scanning tunneling microscopy (STM) measurements of the (110) surface of magnetite showed the coexistence of two reconstructions: the known $(1\times 3)$ row reconstruction and a surprising atomic structure of high complexity which occupies a small fraction of the surface. Oxygen vacancies on the ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$(110)…

[Phys. Rev. B 94, 165424] Published Wed Oct 19, 2016

]]>We consider an interacting quantum dot working as a coherent source of single electrons. The dot is tunnel coupled to a reservoir and capacitively coupled to a gate terminal with an applied ac potential. At low frequencies, this is the quantum analog of the $RC$ circuit with a purely dynamical respons…

[Phys. Rev. B 94, 165425] Published Wed Oct 19, 2016

]]>For multicomponent electron scattering states, we derive a general relation between the Wigner group delay and the Bohmian dwell time. It is found that the definition of group delay should account for the phase of the spinor wave functions of propagating modes. The difference between the group delay…

[Phys. Rev. B 94, 165426] Published Wed Oct 19, 2016

]]>We investigate phase separation including elastic coherency effects in the bulk and at surfaces and find a reduction of the solubility limit in the presence of free surfaces. This mechanism favors phase separation near free surfaces even in the absence of external stresses. We apply the theory to hy…

[Phys. Rev. B 94, 134106] Published Tue Oct 18, 2016

]]>We investigate the spontaneous emission rate of a two-level quantum emitter next to a composite medium made of randomly distributed metallic inclusions embedded in a dielectric host matrix. In the near field, the Purcell factor can be enhanced by two orders of magnitude relative to the case of a hom…

[Phys. Rev. B 94, 134204] Published Tue Oct 18, 2016

]]>Understanding the effect of vibrations in optically active nanosystems is crucial for successfully implementing applications in molecular-based electro-optical devices, quantum information communications, single photon sources, and fluorescent markers for biological measurements. Here, we present a …

[Phys. Rev. B 94, 134305] Published Tue Oct 18, 2016

]]>In this paper, the magnetization reversal of exchange-biased Py/CoO vortex structures was investigated. The vortex structures were prepared by film deposition onto closely packed arrays of silica particles. By zero field cooling below the Néel temperature of the antiferromagnetic CoO, a so called ci…

[Phys. Rev. B 94, 134422] Published Tue Oct 18, 2016

]]>The high efficiency of perovskite solar cells benefits from the high density of photoinduced free carriers. We studied how exciton and free carriers, as the two major photoproducts, coexist inside the $\mathrm{C}{\mathrm{H}}_{3}\mathrm{N}{\mathrm{H}}_{3}\mathrm{Pb}{\mathrm{I}}_{3}$ perovskite. A new density-resolved spectroscopic method was developed for this purpose. …

[Phys. Rev. B 94, 140302(R)] Published Tue Oct 18, 2016

]]>We study the magnetic and electronic phases of a one-dimensional (1D) magnetic adatom chain on a 2D superconductor. In particular, we confirm the existence of a “self-organized” 1D topologically nontrivial superconducting phase within the set of subgap Yu-Shiba-Rusinov states formed along the magnet…

[Phys. Rev. B 94, 144509] Published Tue Oct 18, 2016

]]>The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by *ab initio* density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si d…

[Phys. Rev. B 94, 155309] Published Tue Oct 18, 2016

]]>Silver opens up interesting perspectives in the fabrication of complex systems based on heteroepitaxial layers after the growth of a silicene layer on its (111) face has been proposed. In this work we explore different synthesis methods of hexagonal boron nitride ($h$-BN) and graphene sheets on silver…

[Phys. Rev. B 94, 155431] Published Tue Oct 18, 2016

]]>We investigate the effect of Rashba spin-orbit coupling (SOC) on the optoelectronic properties of $n$- and $p$-type monolayer ${\mathrm{MoS}}_{2}$. The optical conductivity is calculated within the Kubo formalism. We find that the spin-flip transitions enabled by the Rashba SOC result in a wide absorption window in the…

[Phys. Rev. B 94, 155432] Published Tue Oct 18, 2016

]]>By means of first-principle calculations, we report a stoichiometric crystal structure of BiSb with broken space-inversion symmetry. This structure is insulating in bulk and has nontrivial band topology. We observe a pressure driven Weyl semimetallic electronic phase transition in this BiSb system w…

[Phys. Rev. B 94, 161116(R)] Published Tue Oct 18, 2016

]]>We consider nonlocal correlations in iron in the vicinity of the $\alpha -\gamma $ phase transition within the spin rotationally invariant dynamical mean-field theory (DMFT) approach, combined with the recently proposed spin-fermion model of iron. The obtained nonlocal corrections to DMFT yield a decrease of the …

[Phys. Rev. B 94, 161117(R)] Published Tue Oct 18, 2016

]]>Adsorption of Au on Si(553) results in the self-assembly of highly ordered step arrays of one-dimensional (1D) Au atomic wires along the step direction. Charge transfer from the terrace to the step edge causes every third Si atom at the step edge to exhibit a partially filled dangling bond hosting a…

[Phys. Rev. B 94, 161403(R)] Published Tue Oct 18, 2016

]]>To probe the charge-scattering mechanism in ${\mathrm{Cd}}_{3}{\mathrm{As}}_{2}$ single crystal, we analyzed the temperature and magnetic-field dependence of the Seebeck coefficient ($S$). The large saturation value of $S$ at high field clearly demonstrates the linear energy dispersion of a three-dimensional Dirac fermion. A wide tu…

[Phys. Rev. B 94, 165139] Published Tue Oct 18, 2016

]]>Self-rotation occurs in an exciton-polariton condensate in a two-dimensional semiconductor microcavity pumped by a nonresonant Gaussian laser beam. A wave packet of the condensate spontaneously rotates around the center of the pumped region at a constant frequency breaking the rotation symmetry of t…

[Phys. Rev. B 94, 165306] Published Tue Oct 18, 2016

]]>A general model for treating the effects of three-dimensional (3D) interface roughness (IFR) in layered semiconductor structures has been developed and experimentally verified. The configurational average of the IFR potential produces an effective grading potential in the out-of-plane direction, whi…

[Phys. Rev. B 94, 165307] Published Tue Oct 18, 2016

]]>The deformation of graphene due to the chemisorption of hydrogen atoms on its surface and the long-range elastic interaction between hydrogen atoms induced by these deformations are investigated using a multiscale approach based on first principles, empirical interactions, and continuum modeling. Fo…

[Phys. Rev. B 94, 165420] Published Tue Oct 18, 2016

]]>By using the diffusion Monte Carlo method, we obtained the full phase diagram of ${}^{3}\mathrm{He}$ on top of graphite preplated with a solid layer of ${}^{4}\mathrm{He}$. All the ${}^{4}\mathrm{He}$ atoms of the substrate were explicitly considered and allowed to move during the simulation. We found that the ground state is a liquid of density $\mathrm{\dots}$

[Phys. Rev. B 94, 165421] Published Tue Oct 18, 2016

]]>We investigate the strain-mediated control of individual single quantum dots (QDs) embedded in a multi-degree-of-freedom optomechanical resonator. The mechanical eigenfrequencies and their mode degeneracy of resonator are tailored in the MHz regime for a geometrical aspect ratio of conventional wire…

[Phys. Rev. B 94, 165422] Published Tue Oct 18, 2016

]]>Three extensive density functional/molecular dynamics simulations of the crystallization of amorphous ${\mathrm{Ge}}_{2}{\mathrm{Sb}}_{2}{\mathrm{Te}}_{5}$ (460 atoms) [Phys. Rev. B **90**, 184109 (2014)] have been completed with simulation times of up to 8.2 ns. Together with the results of earlier simulations with and without a crystallite seed…

[Phys. Rev. B 94, 134105] Published Mon Oct 17, 2016

]]>We describe a mechanism to control the energy and magnetization currents in an artificial spin chain, consisting of an array of permalloy nanodisks coupled through a magnetodipolar interaction. The chain is kept out of equilibrium by two thermal baths with different temperatures connected to its end…

[Phys. Rev. B 94, 134419] Published Mon Oct 17, 2016

]]>We show how spin-liquid (SL) states can be stabilized in a realistic three-dimensional model as a result of frustration. $\text{SU}\left(n\right)$-symmetric generalization of the Heisenberg model for quantum spin $S$ operators is used to investigate the frustrated body-centered tetragonal (BCT) lattice with antiferromagn…

[Phys. Rev. B 94, 134420] Published Mon Oct 17, 2016

]]>The spatial symmetry of spin pumping, i.e., the voltage amplitude of the inverse spin Hall effect varying with the orientation of static magnetization and the polarization direction of a dynamic magnetic field, has been systematically studied both theoretically and experimentally. This symmetry is q…

[Phys. Rev. B 94, 134421] Published Mon Oct 17, 2016

]]>We report low temperature muon spin relaxation ($\mu \mathrm{SR}$) measurements of the high-transition-temperature (${T}_{c}$) cuprate superconductors ${\mathrm{Bi}}_{2+x}{\mathrm{Sr}}_{2-x}{\mathrm{CaCu}}_{2}{\mathrm{O}}_{8+\delta}$ and ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{6.57}$, aimed at detecting the mysterious intra-unit cell (IUC) magnetic order that has been observed by spin-polarized neutron scattering i…

[Phys. Rev. B 94, 134514] Published Mon Oct 17, 2016

]]>[Phys. Rev. B 94, 139901] Published Mon Oct 17, 2016

]]>Recent experiments have revealed nonlinear features of the magnetoresistance in metallic bilayers consisting of a heavy metal (HM) and a ferromagnetic metal (FM). A small change in the longitudinal resistance of the bilayer has been observed when reversing the direction of either the applied in-plan…

[Phys. Rev. B 94, 140411(R)] Published Mon Oct 17, 2016

]]>The thermomechanical properties and electronic structure of vitreloy ($\mathrm{Z}{\mathrm{r}}_{41.2}\mathrm{T}{\mathrm{i}}_{13.8}\mathrm{C}{\mathrm{u}}_{12.5}\mathrm{N}{\mathrm{i}}_{10}\mathrm{B}{\mathrm{e}}_{22.5}$) are investigated using accurate *ab initio* molecular dynamic (AIMD) simulations and *ab initio* calculations. The structure of the model with 512 atoms is validated by comparison to the experimental data…

[Phys. Rev. B 94, 144207] Published Mon Oct 17, 2016

]]>We report the coexistence and properties of stable compact localized states (CLSs) and discrete solitons (DSs) for nonlinear spinor waves on a flat-band network with spin-orbit coupling (SOC). The system can be implemented by means of a binary Bose-Einstein condensate loaded in the corresponding opt…

[Phys. Rev. B 94, 144302] Published Mon Oct 17, 2016

]]>Starting from the Dirac-Kohn-Sham equation, we derive the relativistic equation of motion of spin angular momentum in a magnetic solid under an external electromagnetic field. This equation of motion can be rewritten in the form of the well-known Landau-Lifshitz-Gilbert equation for a harmonic exter…

[Phys. Rev. B 94, 144419] Published Mon Oct 17, 2016

]]>We recently introduced the idea of $s$-sourcery [B. Swingle and J. McGreevy, Phys. Rev. B **93**, 045127 (2016)], a general formalism for building many-body quantum ground states using renormalization-group-inspired quantum circuits. Here we define a generalized notion of $s$-sourcery that applies to mixed …

[Phys. Rev. B 94, 155125] Published Mon Oct 17, 2016

]]>In contrast to bulk FeSe, which exhibits nematic order and low temperature superconductivity, highly doped FeSe reverses the situation, having high temperature superconductivity appearing alongside a suppression of nematic order. To investigate this phenomenon, we study a minimal electronic model of…

[Phys. Rev. B 94, 155127] Published Mon Oct 17, 2016

]]>Gauging is a ubiquitous tool in many-body physics. It allows one to construct highly entangled topological phases of matter from relatively simple phases and to relate certain characteristics of the two. Here we develop a gauging procedure for general submanifold symmetries of Pauli Hamiltonians, in…

[Phys. Rev. B 94, 155128] Published Mon Oct 17, 2016

]]>Pump-probe optical spectroscopy was used to investigate proposed charge-carrier multiplication via impact ionization in the ${M}_{1}$ insulating phase of ${\mathrm{VO}}_{2}$. By comparing the transient reflectivities of the film when pumped at less than and then more than twice the band-gap energy, we observed a larger ul…

[Phys. Rev. B 94, 155129] Published Mon Oct 17, 2016

]]>We consider a two-orbital impurity system with intra- and interlevel Coulomb repulsion that is coupled to a single conduction channel. This situation can generically occur in multilevel quantum dots or in systems of coupled quantum dots. For finite energy spacing between spin-degenerate orbitals, an…

[Phys. Rev. B 94, 155130] Published Mon Oct 17, 2016

]]>Scrutinizing distinct solid/liquid ($s/l$) and solid/solid ($s/s$) phase transitions (passive transitions) for large change in bulk (and homogenous) thermal conductivity, we find the $s/l$ semiconductor/metal (S/M) transition produces the largest dimensionless thermal conductivity switch (TCS) figure of m…

[Phys. Rev. B 94, 155203] Published Mon Oct 17, 2016

]]>Using atomically resolved imaging and spectroscopy, we reveal a remarkably deep polarization in nonferroelectric $\mathrm{SrTi}{\mathrm{O}}_{3}$ near its interface with an ultrathin nonmetallic film of $\mathrm{L}{\mathrm{a}}_{2/3}\mathrm{S}{\mathrm{r}}_{1/3}\mathrm{Mn}{\mathrm{O}}_{3}$. Electron holography shows an electric field near the interface in $\mathrm{SrTi}{\mathrm{O}}_{3}$, yielding a surprising spontaneous…

[Phys. Rev. B 94, 155307] Published Mon Oct 17, 2016

]]>We investigate the 3.45-eV luminescence band of spontaneously formed GaN nanowires on Si(111) by photoluminescence and cathodoluminescence spectroscopy. This band is found to be particularly prominent for samples synthesized at comparatively low temperatures. At the same time, these samples exhibit …

[Phys. Rev. B 94, 155308] Published Mon Oct 17, 2016

]]>$\mathrm{MoT}{\mathrm{e}}_{2}$ belongs to the semiconducting transition-metal dichalcogenide family with certain properties differing from the other well-studied members $(\mathrm{Mo},\mathrm{W}){\left(\mathrm{S},\mathrm{Se}\right)}_{2}$. The optical band gap is in the near-infrared region, and both monolayers and bilayers may have a direct optical band gap. We first simulate …

[Phys. Rev. B 94, 155425] Published Mon Oct 17, 2016

]]>We investigated the structural and electronic properties of vacuum sublimed 7,8,15,16-tetraazaterrylene (TAT) thin films on Au(111), Ag(111), and Cu(111) substrates using inverse photoemission spectroscopy, ultraviolet photoelectron spectroscopy (UPS), x-ray photoelectron spectroscopy (XPS), low ene…

[Phys. Rev. B 94, 155426] Published Mon Oct 17, 2016

]]>Solid Si under intense femtosecond irradiation is investigated over a wide range of fluences below the melting transition by supercontinuum light (400–800 nm) transient reflectivity. By solving a system of time-dependent equations, the fast and slow components of the energy and carriers diffusion ca…

[Phys. Rev. B 94, 155427] Published Mon Oct 17, 2016

]]>The excitonic spectra of single-layer GeS and GeSe are predicted by *ab initio* GW and Bethe-Salpeter equation calculations. ${G}_{0}{W}_{0}$ calculations for the band structures find a fundamental band gap of 2.85 eV for GeS and 1.70 eV for GeSe monolayer. However, excitons are tightly bound, specially in GeS at…

[Phys. Rev. B 94, 155428] Published Mon Oct 17, 2016

]]>The lifetime of localized surface plasmon plays an important role in many aspects of plasmonics and its applications. In small metal nanostructures, the dominant mechanism of plasmon decay is size-dependent Landau damping. We performed quantum-mechanical calculations of Landau damping for the bright…

[Phys. Rev. B 94, 155429] Published Mon Oct 17, 2016

]]>By exploiting the guided resonance of a photonic hypercrystal—a periodic structure that combines the properties of hyperbolic materials and photonic crystals—we numerically demonstrate a perfect absorber consisting of a photonic hypercrystal slab, a dielectric spacer, and a back reflector. The guide…

[Phys. Rev. B 94, 155430] Published Mon Oct 17, 2016

]]>We investigate the dynamics of a strongly driven microwave-dressed donor-bound electron spin qubit in silicon. A resonant oscillating magnetic field ${B}_{1}$ is used to dress the electron spin and create a new quantum system with a level splitting proportional to ${B}_{1}$. The dressed two-level system can then …

[Phys. Rev. B 94, 161302(R)] Published Mon Oct 17, 2016

]]>We report in this Rapid Communication an antilevitation behavior of Landau levels in vanishing magnetic fields in a high quality heterojunction insulated-gated field-effect transistor. We found, in the Landau fan diagram of electron density versus magnetic field, the positions of the magnetoresistan…

[Phys. Rev. B 94, 161303(R)] Published Mon Oct 17, 2016

]]>A metamaterial composed of stacked plasmonic waveguides which support backward propagation along the layers has been shown to exhibit a nearly spherical equifrequency contour (EFC) in which the Floquet-Bloch wave vector ${\mathbf{k}}_{\mathrm{FB}}$ and Poynting vector $\mathbf{S}$ point in opposite directions everywhere on this surfac…

[Phys. Rev. B 94, 165133] Published Mon Oct 17, 2016

]]>A Boltzmann machine is a stochastic neural network that has been extensively used in the layers of deep architectures for modern machine learning applications. In this paper, we develop a Boltzmann machine that is capable of modeling thermodynamic observables for physical systems in thermal equilibr…

[Phys. Rev. B 94, 165134] Published Mon Oct 17, 2016

]]>We study a restricted class of correlator product states (CPS) for a spin-half chain in which each spin is contained in just two overlapping plaquettes. This class is also a restriction upon matrix product states (MPS) with local dimension ${2}^{n}$ ($n$ being the size of the overlapping regions of plaquette…

[Phys. Rev. B 94, 165135] Published Mon Oct 17, 2016

]]>Universal scaling terms occurring in Rényi entanglement entropies have the potential to bring new understanding to quantum critical points in free and interacting systems. Quantitative comparisons between analytical continuum theories and numerical calculations on lattice models play a crucial role …

[Phys. Rev. B 94, 165136] Published Mon Oct 17, 2016

]]>Electrical resistivity ($\rho $), thermopower, and specific heat measurements have been performed on the novel Kondo semiconductor $\mathrm{Ce}{\left({\mathrm{Ru}}_{1-x}{\mathrm{Rh}}_{x}\right)}_{2}{\mathrm{Al}}_{10}$ ($x=0$, 0.02, 0.03, and 0.05), which has been attracting a great deal of interest due to an unusual antiferromagnetic (AFM) order below ${T}_{0}$, in order to clarify…

[Phys. Rev. B 94, 165137] Published Mon Oct 17, 2016

]]>In a recent proposal of the half-filled Landau level, the composite fermions are taken to be Dirac particles and particle-hole symmetric. Cooper pairing of these composite fermions in different angular momentum channels, $\ell $, can give rise to different kinds of Pfaffian states. In addition to the well…

[Phys. Rev. B 94, 165138] Published Mon Oct 17, 2016

]]>Many-component electron-hole plasma is considered in the coupled quantum wells. The electrons are assumed to be localized in one quantum well (QW) while the holes are localized in the other QW. It is found that the homogeneous charge distribution within the QWs is unstable if the carrier density is …

[Phys. Rev. B 94, 165304] Published Mon Oct 17, 2016

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