The quantum anomalous Hall effect (QAHE) originates from a combination of the spin-orbital coupling and the breaking of time-reversal symmetry due to intrinsic ferromagnetic ordering and was recently observed in Cr and V doped magnetic topological insulators (TIs). However, it was only observed at e…

[Phys. Rev. B 94, 054113] Published Fri Aug 26, 2016

]]>A recent quasielastic neutron scattering (QENS) study of hydrogen in heavily deformed fcc palladium provided the first direct measurement of hydrogen pipe diffusion, which has a significantly higher diffusivity and lower activation barrier than in bulk. While *ab initio* estimates of hydrogen diffusio…

[Phys. Rev. B 94, 054114] Published Fri Aug 26, 2016

]]>We investigate the nonequilibrium charge dynamics of a triple quantum dot and demonstrate how electron transport through these systems can give rise to nontrivial tunneling paths. Using a real-time charge sensing method, we establish tunneling pathways taken by particular electrons under well-define…

[Phys. Rev. B 94, 054314] Published Fri Aug 26, 2016

]]>Physical properties induced by exchange interactions (Curie temperature and spin stiffness) and spin-orbit coupling (anomalous Hall effect, anisotropic magnetoresistance, and Gilbert damping) in the diluted (Ga,Mn)As ferromagnetic semiconductor are studied from first principles. Recently developed K…

[Phys. Rev. B 94, 054428] Published Fri Aug 26, 2016

]]>Crystal of ${\mathrm{GaV}}_{4}{\mathrm{S}}_{8}$, a multiferroic system hosting a Néel-type skyrmion lattice phase, has been investigated by polarized Raman and IR spectroscopy above and below the ferroelectric phase transition. Counts of the observed IR and Raman-active modes belonging to distinct irreducible representations agr…

[Phys. Rev. B 94, 060104(R)] Published Fri Aug 26, 2016

]]>First-principles simulations of the porous layered calcogenide materials ${\mathrm{Li}}_{2}{\mathrm{SnO}}_{3}$ and ${\mathrm{Li}}_{2}{\mathrm{SnS}}_{3}$ are used to study their structures, Li ion mobilities, and their interactions with excess Li. The pristine materials are characterized by a regular pattern of voids within the calcogenide layers which are oc…

[Phys. Rev. B 94, 064108] Published Fri Aug 26, 2016

]]>The density of states $\varrho \left(E\right)$ of graphene is investigated within the tight-binding (Hückel) approximation in the presence of vacancies. They introduce a nonvanishing density of zero modes ${n}_{\text{zm}}$ that act as midgap states, $\varrho \left(E\right)={n}_{\text{zm}}\delta \left(E\right)+\text{smooth}$. As is well known, the actual number of zero modes per sample ca…

[Phys. Rev. B 94, 064204] Published Fri Aug 26, 2016

]]>The ferromagnetic resonance (FMR) linewidth and its anisotropy in ${\mathrm{F}}_{1}/\mathrm{f}/{\mathrm{F}}_{2}$/AF multilayers, where spacer f has a low Curie point compared to the strongly ferromagnetic ${\mathrm{F}}_{1}$ and ${\mathrm{F}}_{2}$, is investigated. The role of the interlayer exchange coupling in magnetization relaxation is determined experimentally by v…

[Phys. Rev. B 94, 064429] Published Fri Aug 26, 2016

]]>We study the low-energy sector of the Heisenberg necklace model. Using the field-theory methods, we estimate how the coupling of the electronic spins with the paramagnetic Kondo spins affects the overall spin dynamics and evaluate its dependence on a magnetic field. We are motivated by the experimen…

[Phys. Rev. B 94, 075152] Published Fri Aug 26, 2016

]]>In this paper, we investigate the quasiparticle scattering interference (QPI) in the nematic phase of iron pnictides, based on the magnetic and orbital scenarios of nematicity, respectively. In the spin density wave (SDW) state, the QPI pattern exhibits a dimer structure in the energy region of the …

[Phys. Rev. B 94, 075153] Published Fri Aug 26, 2016

]]>The environment of a quantum dot that is connected to two leads is modeled by telegraph noise, i.e., random Markovian jumps of the (spinless) electron energy on the dot between two levels. The temporal evolutions of the charge on the dot and of the currents in the leads are studied using a recently …

[Phys. Rev. B 94, 075437] Published Fri Aug 26, 2016

]]>The vibrational properties of NiO(001) films on Ag(001) with thicknesses up to 50 monolayers (ML) are characterized with high-resolution electron energy loss spectroscopy (HREELS). For NiO growth at 300 K, four different coverage regions are distinguished by HREELS. The film-thickness-dependent Fuch…

[Phys. Rev. B 94, 075438] Published Fri Aug 26, 2016

]]>We advocate that in critical spin chains, and possibly in a larger class of one-dimensional critical models, a gap in the momentum-space entanglement spectrum separates the universal part of the spectrum, which is determined by the associated conformal field theory, from the nonuniversal part, which…

[Phys. Rev. B 94, 081112(R)] Published Fri Aug 26, 2016

]]>We discuss dynamic spin susceptibility (DSS) in two-dimensional (2D) Dirac electrons with spin-orbit interactions to characterize topological insulators. The imaginary part of the DSS appears as an absorption rate in response to a transverse ac magnetic field, just as in an electron spin resonance e…

[Phys. Rev. B 94, 081411(R)] Published Fri Aug 26, 2016

]]>We theoretically investigate the incident-photon energy ${\omega}_{\mathrm{i}}$ dependence of resonant inelastic x-ray scattering (RIXS) tuned for the Cu $L$ edge in cuprate superconductors by using the exact diagonalization technique for a single-band Hubbard model. Depending on the value of core-hole Coulomb interaction…

[Phys. Rev. B 94, 085144] Published Fri Aug 26, 2016

]]>We elaborate on an operator approach to effective medium theory for homogenization of the periodic multilayered structures composed of nonmagnetic isotropic materials, which is based on equating the spatial evolution operators for the original structure and its effective alternative. We show that th…

[Phys. Rev. B 94, 085428] Published Fri Aug 26, 2016

]]>We probe the room temperature photoluminescence of $N$-layer molybdenum ditelluride $\left({\mathrm{MoTe}}_{2}\right)$ in the continuous wave (cw) regime. The photoluminescence quantum yield of monolayer ${\mathrm{MoTe}}_{2}$ is three times larger than in bilayer ${\mathrm{MoTe}}_{2}$ and 40 times greater than in the bulk limit. Mono- and bilayer ${\mathrm{MoTe}}_{2}$ displa…

[Phys. Rev. B 94, 085429] Published Fri Aug 26, 2016

]]>The mechanism of pressure-induced amorphous-to-amorphous transitions (AATs) in metallic glasses (MGs) has been a subject of intense research. Most AATs in MGs were found in lanthanide-based alloys and shown to originate from $4f$ orbital delocalization. Recently, evidence of an unexpected AAT in the m…

[Phys. Rev. B 94, 054201] Published Thu Aug 25, 2016

]]>We report the polarization dependence of terahertz magnon absorption in single crystals of ${\mathrm{BiFeO}}_{3}$ grown by a modified floating zone method. In a (111)${}_{\mathrm{pc}}$-oriented crystal, two major magnon absorption signals were observed for all terahertz polarizations, which indicates that magnetic domains were not…

[Phys. Rev. B 94, 054426] Published Thu Aug 25, 2016

]]>In this joint experimental and *ab initio* study, we focused on the influence of the chemical composition and martensite phase transition on the electronic, magnetic, optical, and magneto-optical properties of the ferromagnetic shape-memory Ni-Mn-Ga alloys. The polar magneto-optical Kerr effect (MOKE)…

[Phys. Rev. B 94, 054427] Published Thu Aug 25, 2016

]]>The $N$-component London $\mathrm{U}\left(1\right)$ superconductor is expressed in terms of integer-valued supercurrents. We show that the inclusion of interband Josephson couplings introduces monopoles in the current fields, which convert the phase transitions of the charge-neutral sector to crossovers. The monopoles only…

[Phys. Rev. B 94, 054518] Published Thu Aug 25, 2016

]]>We introduce the concept of a *reflection quasilattice*, the quasiperiodic generalization of a Bravais lattice with irreducible reflection symmetry. Among their applications, reflection quasilattices are the reciprocal (i.e., Bragg diffraction) lattices for quasicrystals and quasicrystal tilings, such…

[Phys. Rev. B 94, 064107] Published Thu Aug 25, 2016

]]>We have conducted molecular dynamics (MD) simulations of quasi-isentropic ramp-wave compression to very high pressures over a range of strain rates from ${10}^{11}$ down to ${10}^{8}$ 1/s. Using scaling methods, we collapse wave profiles from various strain rates to a master profile curve, which shows deviations …

[Phys. Rev. B 94, 064301] Published Thu Aug 25, 2016

]]>Driven dynamics across a quantum critical point is usually described by the Kibble-Zurek scaling. Although the original Kibble-Zurek scaling requires an adiabatic initial state, it has been shown that scaling behaviors exist even when the driven dynamics is triggered from a thermal equilibrium state…

[Phys. Rev. B 94, 064302] Published Thu Aug 25, 2016

]]>Phase transitions in a classical Heisenberg spin model of a chiral helimagnet with the Dzyaloshinskii-Moriya interaction in three dimensions are numerically studied. By using the event-chain Monte Carlo algorithm recently developed for particle and continuous spin systems, we perform equilibrium Mon…

[Phys. Rev. B 94, 064428] Published Thu Aug 25, 2016

]]>Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conductivity can be inferred from the Boltzmann transport equation (BTE). However, the BTE does not perform well for some comple…

[Phys. Rev. B 94, 075149] Published Thu Aug 25, 2016

]]>The electronic structure and magnetic properties of the strongly correlated material ${\mathrm{La}}_{2}{\mathrm{O}}_{3}{\mathrm{Fe}}_{2}{\mathrm{Se}}_{2}$ are studied by using both the density-functional theory plus $U$ $\left(\mathrm{DFT}+U\right)$ method and the DFT plus Gutzwiller (DFT + G) variational method. The ground-state magnetic structure of this material obtained with $\dots $

[Phys. Rev. B 94, 075150] Published Thu Aug 25, 2016

]]>Topological entanglement entropy has been regarded as a smoking-gun signature of topological order in two dimensions, capturing the total quantum dimension of the topological particle content. An extrapolation method on cylinders has been used frequently to measure the topological entanglement entro…

[Phys. Rev. B 94, 075151] Published Thu Aug 25, 2016

]]>By hard x-ray photoemission spectroscopy we have studied the electronic states of $\mathrm{LaAl}{\mathrm{O}}_{3}/\mathrm{SrTi}{\mathrm{O}}_{3}$(100) and ${\mathrm{LaAlO}}_{3}/\mathrm{Nb}$ : ${\mathrm{SrTiO}}_{3}$(100) heterostructures, where the polar $\mathrm{LaAl}{\mathrm{O}}_{3}$ layer is grown on the insulating and conducting substrates, respectively. The analysis of the valence band has shown that the elec…

[Phys. Rev. B 94, 075311] Published Thu Aug 25, 2016

]]>Quantum phases characterized by surfaces of gapless excitations are known to violate the otherwise ubiquitous boundary law of entanglement entropy in the form of a multiplicative log correction: $S\sim {L}^{d-1}logL$. Using variational Monte Carlo, we calculate the second Rényi entropy for a model wave functio…

[Phys. Rev. B 94, 081110(R)] Published Thu Aug 25, 2016

]]>${\mathrm{SmB}}_{6}$ is a mixed valence Kondo system resulting from the hybridization between localized $f$ electrons and delocalized $d$ electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above th…

[Phys. Rev. B 94, 081111(R)] Published Thu Aug 25, 2016

]]>We present a first-principles computational approach to calculate thermoelectric transport coefficients via the exact solution of the linearized Boltzmann transport equation, also including the effect of nonequilibrium phonon populations induced by a temperature gradient. We use density functional t…

[Phys. Rev. B 94, 085204] Published Thu Aug 25, 2016

]]>We study the influence of a step defect on surface states in three-dimensional topological insulators subject to a perpendicular magnetic field. By calculating the energy spectrum of the surface states, we find that Landau levels (LLs) can form on flat regions of the surface and are distant from the…

[Phys. Rev. B 94, 085307] Published Thu Aug 25, 2016

]]>The paper reports optical orientation experiments performed in the narrow GaAs/AlGaAs quantum wells doped with Mn. We experimentally demonstrate a control over the spin polarization by means of the optical orientation via the impurity-to-band excitation and observe a sign inversion of the luminescen…

[Phys. Rev. B 94, 085308] Published Thu Aug 25, 2016

]]>We study the effects of a low concentration of adatoms or single vacancies in the linear–response transport properties of otherwise clean graphene. These impurities were treated as localized orbitals, and for each type two cases with distinct coupling symmetries were studied. For adatoms, we conside…

[Phys. Rev. B 94, 085425] Published Thu Aug 25, 2016

]]>We investigate the structure and energetics of interstitial hydrogen and hydrogen molecules in layered $2H\text{\u2212}{\mathrm{MoS}}_{2}$, an issue of interest both for hydrogen storage applications and for the use of ${\mathrm{MoS}}_{2}$ as an (opto)electronic material. Using first-principles density functional theory we find that hydrogen …

[Phys. Rev. B 94, 085426] Published Thu Aug 25, 2016

]]>The electronic properties and surface structures of K-doped graphene supported on Ir(111) are characterized as a function of temperature and coverage by combining low-energy electron diffraction, angle-resolved photoemission spectroscopy, and density functional theory (DFT) calculations. Deposition …

[Phys. Rev. B 94, 085427] Published Thu Aug 25, 2016

]]>We study the magnetic response of a ferromagnetic bilayer with antiferromagnetic coupling, where the layers experience magnetostrictive strains and epitaxial misfit strains. These strains cause the layers to stretch and bend as the magnetic spins of the layers rotate, resulting in elastic energy tha…

[Phys. Rev. B 94, 054425] Published Wed Aug 24, 2016

]]>The discovery of superconductivity in hafnium pentatelluride $\mathrm{HfT}{\mathrm{e}}_{5}$ under high pressure is reported. Two structural phase transitions and metallization with superconductivity developing at around 5 GPa are observed. A maximal critical temperature of 4.8 K is attained at a pressure of 20 GPa, and supe…

[Phys. Rev. B 94, 054517] Published Wed Aug 24, 2016

]]>An electromagnetic force density expression that is consistent with a development attributed to Einstein and Laub appears to be able to describe optical force experiments done to date with homogenized media. However, a major question that has persisted for about one century relates to the apparent d…

[Phys. Rev. B 94, 064203] Published Wed Aug 24, 2016

]]>The ballistic magnetoresistance (MR) of a domain wall constricted in a nanocontact between two $p$-type semiconducting magnetic nanowires is studied theoretically using the Landauer-Büttiker approach. Our analysis is based on coherent scattering of the carriers by the spin-dependent potential associat…

[Phys. Rev. B 94, 064426] Published Wed Aug 24, 2016

]]>We have performed first-principles calculations of the electronic and magnetic properties of insulating double perovskite compound ${\mathrm{La}}_{2}{\mathrm{CuRuO}}_{6}$ (LCRO) which has recently been reported to exhibit intriguing magnetic properties. We derived a tight-binding Hamiltonian for LCRO based on the $N\mathrm{th}$-order muffi…

[Phys. Rev. B 94, 064427] Published Wed Aug 24, 2016

]]>In this paper we consider the modeling and simulation of open quantum systems from a device engineering perspective. We derive master equations at different levels of approximation for a superconducting quantum interference device (SQUID) ring coupled to an ohmic bath. We demonstrate that the master…

[Phys. Rev. B 94, 064518] Published Wed Aug 24, 2016

]]>We present a joint theoretical and experimental study on core-level excitations from the oxygen $K$ edge of $\beta {\text{-Ga}}_{2}{\text{O}}_{3}$. A detailed analysis of the electronic structure reveals the importance of O-Ga hybridization effects in the conduction region. The spectrum from O 1 $s$ core electrons is dominated by exc…

[Phys. Rev. B 94, 075147] Published Wed Aug 24, 2016

]]>The currently accepted magnetic ground state of ${\mathrm{Sr}}_{2}{\mathrm{IrO}}_{4}$ (the $-++-$ state) preserves inversion symmetry. This is at odds, though, with recent experiments that indicate a magnetoelectric ground state, leading to the speculation that orbital currents or more exotic magnetic multipoles might exist in thi…

[Phys. Rev. B 94, 075148] Published Wed Aug 24, 2016

]]>Ferromagnetic transitions between quantum Hall states with different polarization at a fixed filling factor can be studied by varying the ratio of cyclotron and Zeeman energies in tilted magnetic field experiments. However, an ability to locally control such transitions at a fixed magnetic field wou…

[Phys. Rev. B 94, 075309] Published Wed Aug 24, 2016

]]>It is well known that the magnitude of band offset (BO) at any semiconductor heterojunction is directly derivable from the distribution of charge at that interface and that the latter is decided by a minimization of total energy. However, the fact that BO formation is governed by energy minimization…

[Phys. Rev. B 94, 075310] Published Wed Aug 24, 2016

]]>Using first-principles density-functional theory (DFT) calculations with/without including the spin-orbit coupling (SOC), we systematically investigate the (4/3)-monolayer structure of Pb on the Si(111) or Ge(111) surface within the two competing structural models termed the ${H}_{3}$ and ${T}_{4}$ structures. We…

[Phys. Rev. B 94, 075436] Published Wed Aug 24, 2016

]]>[Phys. Rev. B 94, 079909] Published Wed Aug 24, 2016

]]>[Phys. Rev. B 94, 079910] Published Wed Aug 24, 2016

]]>${\mathrm{SrTiO}}_{3}$ (STO) is the substrate of choice to grow oxide thin films and oxide heterojunctions, which can form quasi-two-dimensional electronic phases that exhibit a wealth of phenomena, and thus a workhorse in the emerging field of metal-oxide electronics. Hence, it is of great importance to know the e…

[Phys. Rev. B 94, 085141] Published Wed Aug 24, 2016

]]>We present high-frequency ultrasonic measurements on the filled skutterudite ${\mathrm{SmOs}}_{4}{\mathrm{Sb}}_{12}$ under hydrostatic pressure. The results clarify that the $4f$ electrons in this compound transform from delocalized at ambient pressure to localized at high pressures with a crossover pressure of approximately 0.7 G…

[Phys. Rev. B 94, 085142] Published Wed Aug 24, 2016

]]>A first-principles investigation of cubic ${\mathrm{BaRuO}}_{3}$, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte Carlo solver, has been carried out. Nonmagnetic calculations with appropriately chosen on-site Coulomb repulsion $U$ and…

[Phys. Rev. B 94, 085143] Published Wed Aug 24, 2016

]]>We theoretically investigate the effects of exchange splitting, electric field and strain on the supercurrent in silicene-based Josephson junctions. It is observed that a $0-\pi $ transition is induced by the exchange splitting, and the critical supercurrent at the transition point is nonvanishing. Owing…

[Phys. Rev. B 94, 085422] Published Wed Aug 24, 2016

]]>We investigate the interaction between the electrons of a two-dimensional metal and the acoustic phonons of an underlying piezoelectric substrate. Fundamental inequalities can be obtained from general energy arguments. As a result, phonon mediated attraction can be proven to never overcome electron …

[Phys. Rev. B 94, 085423] Published Wed Aug 24, 2016

]]>We consider a graphene sheet suspended above a conducting surface. Treating graphene as an elastic membrane subjected to Casimir force, we study its stability against sagging towards the conductor. There exists a critical elevation at the edges below which the central part of the suspended graphene …

[Phys. Rev. B 94, 085424] Published Wed Aug 24, 2016

]]>What is the long-time behavior of a quantum system after it is brought out of equilibrium? In a generic case, it has been proposed that an effective thermalization occurs, and the local properties of the system can then be described by a thermal Gibbs ensemble. However, in integrable systems, with infinitely many conservation laws, the answer is far more complicated. It was shown in several special cases that the long-time steady state can be exactly described by the so called complete generalized Gibbs ensemble. The latter can be obtained by maximizing the entropy with constraints imposed by the conservation of energy, but also by additional carefully chosen subset of the integrals of motion. In this work, the authors analyze more general initial states, focusing on integrable XXZ Heisenberg spin chains. They find that the complete generalized Gibbs ensemble indeed correctly describes the system at long times after the quench.

[Phys. Rev. B 94, 054313] Published Tue Aug 23, 2016

]]>The confinement of a superconductor in a thin film changes its Fermi-level density of states and is expected to change its critical temperature ${T}_{c}$. Previous calculations have reported large discontinuities of ${T}_{c}$ when the chemical potential coincides with a subband edge. By solving the BCS gap equati…

[Phys. Rev. B 94, 054516] Published Tue Aug 23, 2016

]]>We use the random Green's matrix model to study the scaling properties of the localization transition for scalar waves in a three-dimensional (3D) ensemble of resonant point scatterers. We show that the probability density $p\left(g\right)$ of normalized decay rates of quasimodes $g$ is very broad at the transitio…

[Phys. Rev. B 94, 064202] Published Tue Aug 23, 2016

]]>Magnetization hysteresis loops of a three-dimensional nanoscale analog of spin ice based on the nickel inverse opal-like structure (IOLS) have been studied at room temperature. The samples are produced by filling nickel into the voids of artificial opal-like films. The spin ice behavior is induced b…

[Phys. Rev. B 94, 064424] Published Tue Aug 23, 2016

]]>We present a muon spin relaxation study on the Ising pyrochlore ${\mathrm{Nd}}_{2}{\mathrm{Zr}}_{2}{\mathrm{O}}_{7}$ which develops an “all-in-all-out” magnetic order below 0.4 K. At 20 mK, far below the ordering transition temperature, the zero-field muon spin relaxation spectra show no static features and can be well described by a dynamica…

[Phys. Rev. B 94, 064425] Published Tue Aug 23, 2016

]]>We consider decay of supercurrent via phase slips in a discrete one-dimensional superconductor (a chain of nodes connected by superconducting links), aiming to explain the experimentally observed power-3/2 scaling of the activation barrier in nanowires at currents close to the critical. We find that…

[Phys. Rev. B 94, 064517] Published Tue Aug 23, 2016

]]>Based on *ab initio* calculations, we determine the features and relative stability of different models proposed to describe the $(2\times 2)$-FeO(111) reconstruction. Our results suggest that both wurtzite and spinel-like environments are possible, and their coexistence explains phenomena of biphase ordering…

[Phys. Rev. B 94, 075431] Published Tue Aug 23, 2016

]]>A pseudomagnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudomagnetic fields point towards opposite directions in the $K$ and ${K}^{\prime}$ val…

[Phys. Rev. B 94, 075432] Published Tue Aug 23, 2016

]]>We reported the collimation and splitting effects of the diffraction of valley electrons in graphene. When the incident energy increases from the neutral point, the diffraction tends to be collimated for one valley and split for the other valley. The difference in the diffraction between valleys res…

[Phys. Rev. B 94, 075433] Published Tue Aug 23, 2016

]]>The single-band current-dipole Kubo formula for the dynamical conductivity of heavily doped graphene from Kupčić [Phys. Rev. B **91**, 205428 (2015)] is extended to a two-band model for conduction $\pi $ electrons in lightly doped graphene. Using *a posteriori* relaxation-time approximation in the two-band qua…

[Phys. Rev. B 94, 075434] Published Tue Aug 23, 2016

]]>The particle-particle interaction potential of an $N\text{-atom}$ cluster is expanded in $n\text{-body}$ contributions. The expansion allows us to determine the magnitude of each one of the $n\text{-body}$ terms, and consequently quantifies how $n\text{-body}$ a potential really is. This way we obtain bounds for the relative error due…

[Phys. Rev. B 94, 075435] Published Tue Aug 23, 2016

]]>[Phys. Rev. B 94, 079908] Published Tue Aug 23, 2016

]]>The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on density functional theory calculations combined with the Landauer-Büttiker approach to quantum transport. This combination,…

[Phys. Rev. B 94, 081410(R)] Published Tue Aug 23, 2016

]]>The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-$1/2$ particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temp…

[Phys. Rev. B 94, 085139] Published Tue Aug 23, 2016

]]>Quantum Monte Carlo simulations provide a powerful tool to compute static properties of quantum many-particles models and realistic systems. A vast array of ground-state energies and properties defined by equal-time correlation functions can be computed with high accuracy. On the other hand, the extensions needed to study time-displaced correlation functions, which provide access to excited states, have been challenging, especially for fermionic strongly correlated systems. The authors present a methodology that allows a high-accuracy calculation of the dynamical Green functions of many-fermions systems in the framework of the auxiliary-field quantum Monte Carlo method. They extract the the charge gap of the repulsive two-dimensional Hubbard model at half-filling as a function of the interaction strength and propose strategies for applying their methodology to more realistic systems.

[Phys. Rev. B 94, 085140] Published Tue Aug 23, 2016

]]>In magnetic materials, the exchange is the strongest quantum interaction due to the Pauli exclusion principle. For that reason it can induce high-frequency modes ${f}_{\mathrm{exch}}$ of the magnetization precession. In this work we investigate these modes over a wide range of temperatures ($50\u2013300\phantom{\rule{0.16em}{0ex}}\text{K}$) and magnetic fi…

[Phys. Rev. B 94, 054422] Published Mon Aug 22, 2016

]]>Magnetoelectric multiferroics hold great promise for electrical control of magnetism or magnetic control of ferroelectricity. However, single phase ferroelectric materials with a sizeable ferromagnetic magnetization are rare. Here, we demonstrate that a single-phase orthorhombic $\mathrm{LuMn}{\mathrm{O}}_{3}$ thin film fea…

[Phys. Rev. B 94, 054423] Published Mon Aug 22, 2016

]]>The Dzyaloshinski-Moriya interaction (DMI) originates from the relativistic spin-orbit coupling, and in low-symmetry crystal structures without inversion centers it gives rise to antisymmetric magnetic exchange. DMI plays an important role in the formation of inhomogeneous spin structures such as long-wavelength spirals, vortex states, and skyrmion textures. Even in high-symmetry lattices, where the antisymmetric DM term would normally vanish, DMI is present in the vicinity of any lattice defect and can influence the magnetic microstructure of polycrystalline materials with a large defect density. In this work the authors have studied the impact of the DMI on the magnetic small-angle neutron scattering (SANS) cross section, which is able to probe long-wavelength magnetization fluctuations in the bulk and on the nanometer length scale. The analysis of the authors provides a promising way to characterize the DMI in defect-rich materials.

[Phys. Rev. B 94, 054424] Published Mon Aug 22, 2016

]]>We report synthesis and detailed characterization of the noncentrosymmetric superconductor ${\mathrm{Re}}_{6}\mathrm{Hf}$ using powder x-ray diffraction (XRD), magnetization, transport, and thermodynamic measurements. XRD confirmed the noncentrosymmetric, $\alpha $-*Mn* cubic structure in ${\mathrm{Re}}_{6}\mathrm{Hf}$ with the cubic cell parameter $a=9.6850(\mathrm{\dots}$

[Phys. Rev. B 94, 054515] Published Mon Aug 22, 2016

]]>[Phys. Rev. B 94, 059904] Published Mon Aug 22, 2016

]]>Quantum dynamics of magnetic order in a chiral multiferroic chain is studied. We consider two different scenarios: ultrashort terahertz excitations or a sudden electric field quench. Performing analytical and numerical exact diagonalization calculations, we trace the pulse induced spin dynamics and …

[Phys. Rev. B 94, 064423] Published Mon Aug 22, 2016

]]>We study the crossed Andreev effects in two-dimensional conductor/superconductor hybrid systems under a perpendicular magnetic field. Both a graphene/superconductor hybrid system and an electron gas/superconductor one are considered. It is shown that an exclusive crossed Andreev reflection, with oth…

[Phys. Rev. B 94, 064516] Published Mon Aug 22, 2016

]]>Quantum Monte Carlo simulations of fermions are hampered by the notorious sign problem whose most striking manifestation is an exponential growth of sampling errors with the number of particles. With the sign problem known to be an NP-hard problem and any generic solution thus highly elusive, the Mo…

[Phys. Rev. B 94, 075144] Published Mon Aug 22, 2016

]]>We study the effects of electron-electron interaction in a Floquet topological superconducting chain using the exact diagonalization and the dynamics simulation of quenching process. It is found that a weak interaction can lead to a multitude of tiny avoided crossings in quasienergy spectra, indicat…

[Phys. Rev. B 94, 075145] Published Mon Aug 22, 2016

]]>The Coulombic quantum spin liquid in quantum spin ice is an exotic quantum phase of matter that emerges on the pyrochlore lattice and is currently actively searched for. Motivated by recent experiments on the Yb-based breathing pyrochlore material ${\mathrm{Ba}}_{3}{\mathrm{Yb}}_{2}{\mathrm{Zn}}_{5}{\mathrm{O}}_{11}$, we theoretically study the phase diagr…

[Phys. Rev. B 94, 075146] Published Mon Aug 22, 2016

]]>In previous studies, we have shown that gold deposited on a monolayer (ML) of graphene on SiC(0001) is intercalated below the ML after an annealing procedure and affects the band structure of graphene. Here we prove experimentally and theoretically that some of the gold forms a dispersed phase compo…

[Phys. Rev. B 94, 075427] Published Mon Aug 22, 2016

]]>We investigate the influences of exchange field and perpendicular electric field on the subgap transport in silicene-based ferromagnetic/superconducting (FS) and ferromagnetic/superconducting/ferromagnetic (FSF) junctions. Owing to the unique buckling structure of silicene, the Andreev reflection an…

[Phys. Rev. B 94, 075428] Published Mon Aug 22, 2016

]]>Indirect transitions of electrons in graphene and graphite are investigated by means of angle-resolved photoemission spectroscopy (ARPES) with several different incident photon energies and light polarizations. The theoretical calculations of the indirect transition for graphene and for a single cry…

[Phys. Rev. B 94, 075429] Published Mon Aug 22, 2016

]]>We examine the excitonic nature of the ${E}_{33}$ optical transition of the individual free-standing index-identified $(23,7)$ single-walled carbon nanotube by means of the measurements of its radial-breathing-mode and $G$-mode Raman excitation profiles. We confirm that it is impossible to determine unambiguou…

[Phys. Rev. B 94, 075430] Published Mon Aug 22, 2016

]]>[Phys. Rev. B 94, 079907] Published Mon Aug 22, 2016

]]>A cumulant-based $GW$ approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cumulant generating function. Qualitative aspects of this method are explored within a simple one-electron independent phonon mo…

[Phys. Rev. B 94, 081109(R)] Published Mon Aug 22, 2016

]]>We show that the spin-lattice relaxation in $n$-type insulating GaAs is dramatically accelerated at low magnetic fields. The origin of this effect, which cannot be explained in terms of well-known diffusion-limited hyperfine relaxation, is found in the quadrupole relaxation, induced by fluctuating don…

[Phys. Rev. B 94, 081201(R)] Published Mon Aug 22, 2016

]]>The spin-$\frac{1}{2}$ XXZ chain with easy-plane anisotropy in a transverse field describes well the thermodynamic properties of the material ${\mathrm{Cs}}_{2}{\mathrm{CoCl}}_{4}$ in a wide range of temperatures and fields including the region close to the spin-flop Ising quantum phase transition. For a comparison with prospective inelast…

[Phys. Rev. B 94, 085136] Published Mon Aug 22, 2016

]]>In this work we examine critically the electronic structure of the rare-earth elements by use of the so-called Hubbard I approximation. From the theoretical side all measured features of both occupied and unoccupied states are reproduced, without significant deviations between observations and theor…

[Phys. Rev. B 94, 085137] Published Mon Aug 22, 2016

]]>Commuting transfer matrices for linear chains of interacting non-Abelian anyons from the two-dimensional irreducible representation of the dihedral group ${D}_{3}$ [or, equivalently, the integer sector of the $su{\left(2\right)}_{4}$ spin-1 chain] are constructed using the spin-anyon correspondence to a ${D}_{3}$-symmetric formula…

[Phys. Rev. B 94, 085138] Published Mon Aug 22, 2016

]]>To generate a moderate band gap in a graphene monolayer is a very important but rather difficult task. A rare working solution of this problem is to cut it into one-dimensional (1D) nanometer-wide ribbons. Here we show that, instead of cutting the graphene monolayer, a wide band gap can be created i…

[Phys. Rev. B 94, 085419] Published Mon Aug 22, 2016

]]>Double-layered $\mathrm{S}{\mathrm{r}}_{3}\mathrm{R}{\mathrm{u}}_{2}{\mathrm{O}}_{7}$ has received phenomenal consideration because it exhibits a plethora of exotic phases when perturbed. New phases emerge with the application of pressure, magnetic field, or doping. Here, we show that creating a surface is an alternative and effective way to reveal hidden phas…

[Phys. Rev. B 94, 085420] Published Mon Aug 22, 2016

]]>Optical conductivity of graphene is studied using quantum Monte Carlo calculations. We start from a Euclidean current-current correlator and extract $\sigma \left(\omega \right)$ from Green-Kubo relations using the Backus-Gilbert method. Calculations were performed both for long-range interactions and taking into account on…

[Phys. Rev. B 94, 085421] Published Mon Aug 22, 2016

]]>The evolution of local ferroelectric lattice distortions in multiferroic ${\mathrm{Ge}}_{1-x}{\mathrm{Mn}}_{x}\mathrm{Te}$ is studied by x-ray diffraction, x-ray absorption spectroscopy, and density functional theory. We show that the anion/cation displacements smoothly decrease with increasing Mn content, thereby reducing the ferroelect…

[Phys. Rev. B 94, 054112] Published Fri Aug 19, 2016

]]>The paper deals with the spontaneous coherence building up between exciton-polaritons trapped in an array of deep potential wells in the presence of an incoherent pump. A theoretical approach based on a standard tight-binding mean-field approximation is used to reduce the continuous periodic problem…

[Phys. Rev. B 94, 054312] Published Fri Aug 19, 2016

]]>This paper presents the results of specific-heat and magnetization measurements, in particular their field-orientation dependence, on the first discovered heavy-fermion superconductor ${\mathrm{CeCu}}_{2}{\mathrm{Si}}_{2}$ (${T}_{\mathrm{c}}\sim 0.6$ K). We discuss the superconducting gap structure and the origin of the anomalous pair-breaking phen…

[Phys. Rev. B 94, 054514] Published Fri Aug 19, 2016

]]>We consider the phase diagram of a ferromagnetic system driven to a quantum phase transition with a tuning parameter $p$. Before being suppressed, the transition becomes of the first order at a tricritical point, from which wings emerge under application of the magnetic field $H$ in the $T-p-H$ phase diag…

[Phys. Rev. B 94, 060410(R)] Published Fri Aug 19, 2016

]]>The intention of this paper is twofold. First, the mode-width probability density function (PDF) is introduced as a powerful statistical tool to study and compare the transverse Anderson localization properties of a disordered quasi-one-dimensional optical waveguide. Second, by analyzing the scaling…

[Phys. Rev. B 94, 064201] Published Fri Aug 19, 2016

]]>We predict the electrical generation and injection of domain walls into a ferromagnetic nanowire without the need of an assisting magnetic field. Our analytical and numerical results show that above a critical current ${j}_{c}$ domain walls are injected into the nanowire with a period $T\sim {(j-{j}_{c})}^{-1/2}$. Importa…

[Phys. Rev. B 94, 064422] Published Fri Aug 19, 2016

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