We show that, in certain circumstances, exact excitation energies appear as locally site-independent (or flat) modes if one records the excitation spectrum of the effective Hamiltonian while sweeping through the lattice in the variational matrix-product-state formulation of the density matrix renorm...

[Phys. Rev. B 96, 054425] Published Mon Aug 21, 2017

]]>Orbital ordering below 30 K was previously observed in the ferromagnetic ${\text{YTiO}}_{3}$ compound both by polarized neutron diffraction (PND) and x-ray magnetic diffraction (XMD). In this paper we report a procedure for the joint refinement of a unique spin-density model based on both PND and XMD data. The di...

[Phys. Rev. B 96, 054426] Published Mon Aug 21, 2017

]]>Unpaired electrons in ${\mathrm{YTiO}}_{3}$ ferromagnetic crystal (below 30 K) were studied by polarized neutron diffraction (PND) and incoherent x-ray magnetic Compton scattering (MCS). These experiments provide both position and momentum representations of the electrons at the origin of the magnetic behavior, mos...

[Phys. Rev. B 96, 054427] Published Mon Aug 21, 2017

]]>We investigate bias voltage effects on the spin-dependent transport properties of Fe/$\mathrm{MgAl}{}_{2}\mathrm{O}{}_{4}$/Fe(001) magnetic tunneling junctions (MTJs) by comparing them with those of Fe/MgO/Fe(001) MTJs. By means of the nonequilibrium Green's function method and the density functional theory, we calculate bias vo...

[Phys. Rev. B 96, 054428] Published Mon Aug 21, 2017

]]>We demonstrate that in a weak-coupled two-band superconducting slab the interaction between vortices penetrating the sample and its boundaries leads to the phenomenon of vortex splitting, which divides composite vortices and creates fractional ones. The interaction between vortices, attractive for d...

[Phys. Rev. B 96, 054517] Published Mon Aug 21, 2017

]]>We report the observation of a giant enhancement in the interconversion efficiency between spin current and charge current by the spin Hall effect made possible with the use of nanoscopic structures of Ag in a Pt layer. We fabricate heterostructures of yttrium iron garnet (YIG)/Pt, in which nanopart...

[Phys. Rev. B 96, 060408(R)] Published Mon Aug 21, 2017

]]>We present simulations of Bragg coherent x-ray diffractive imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on a numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range ...

[Phys. Rev. B 96, 064111] Published Mon Aug 21, 2017

]]>We report a systematic study of the structure, electric, and magnetic properties of ${\mathrm{Ca}}_{3}{\mathrm{Co}}_{2-x}{\mathrm{Mn}}_{x}{\mathrm{O}}_{6}$ single crystals with $x=0.72$ and 0.26. The dc and ac magnetic susceptibilities display anomalies with characteristic of the spin freezing. The crystals show ferroelectric transition at 40 and 35 K (${T}_{\mathrm{FE}}$) ...

[Phys. Rev. B 96, 064112] Published Mon Aug 21, 2017

]]>We study the quantum Ising model in $D$ dimensions with the equation-of-motion technique and the Majorana representation for spins. The decoupling scheme used for the Green's functions is based on the hierarchy of correlations in position space. To lowest order, this method reproduces the well-known m...

[Phys. Rev. B 96, 064426] Published Mon Aug 21, 2017

]]>Rare events can have major effects on quantum matter. Extremely unlikely events cause certain physical properties to diverge to infinity near the quantum phase transition of the disordered Ising antiferromagnet in a transverse field, but destroy criticality of the clean system completely when a longitudinal component of the field is present. Using a tree tensor network renormalization group method combined with a novel matrix product operator representation, the authors detect signatures of rare events and determine the zero-temperature phase diagram of the disordered antiferromagnetic Ising chain in the presence of both longitudinal and transverse magnetic fields. The numerical technique used in this paper is generalizable to more complicated many-body systems and higher dimensions.

[Phys. Rev. B 96, 064427] Published Mon Aug 21, 2017

]]>We predict the thermal counterpart of the anomalous Josephson effect in superconductor/ferromagnet/superconductor junctions with noncoplanar magnetic texture. The heat current through the junction is shown to have the phase-sensitive interference component proportional to $cos(\theta -{\theta}_{0})$, where $\theta $ is the J...

[Phys. Rev. B 96, 064519] Published Mon Aug 21, 2017

]]>The Becke-Johnson model potential [A. D. Becke and E. R. Johnson, J. Chem. Phys. **124**, 221101 (2006)] and the potential of the AK13 functional [R. Armiento and S. Kümmel, Phys. Rev. Lett. **111**, 036402 (2013)] have been shown to mimic features of the exact Kohn-Sham exchange potential, such as step str...

[Phys. Rev. B 96, 075140] Published Mon Aug 21, 2017

]]>$\alpha -(\text{BEDT-TTF}{)}_{2}{\mathrm{I}}_{3}$ is a prominent example of charge ordering among organic conductors. In this work, we explore the details of transport within the charge-ordered as well as semimetallic phase at ambient pressure. In the high-temperature semimetallic phase, the mobilities and concentrations of both ele...

[Phys. Rev. B 96, 075141] Published Mon Aug 21, 2017

]]>Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in organic solar cells (OSC). In this paper, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing exact many-body wave packet dynamics. In the noninteracting mode...

[Phys. Rev. B 96, 075142] Published Mon Aug 21, 2017

]]>A valley degree of freedom (DOF) in transition-metal dichalcogenides with broken inversion symmetry can be controlled through spin and orbital DOFs owing to their valley-contrasting characters. Another important aspect of the spin and orbital DOFs is that they affect quasiparticle scattering process...

[Phys. Rev. B 96, 075206] Published Mon Aug 21, 2017

]]>By using the combination of the *ab initio* density functional theory and data mining of the Inorganic Crystal Structure Database, a series of monolayer materials are found to be suitable substrates for germanene or stanene, including some of the $\mathrm{Cd}{\mathrm{I}}_{2}$-type materials, CuI, and GaGeTe. All of the found ...

[Phys. Rev. B 96, 075427] Published Mon Aug 21, 2017

]]>Experimental results of electron emission from surfaces of aluminum fluoride impacted by keV noble gas ions (${\mathrm{He}}^{+},{\mathrm{Ne}}^{+},{\mathrm{Ar}}^{+}$) show a high-energy structure that increases in intensity with ion energy in the case of ${\mathrm{He}}^{+}$ and ${\mathrm{Ar}}^{+}$ and is nearly independent on the impact energy for ${\mathrm{Ne}}^{+}$ ions. It is also obse...

[Phys. Rev. B 96, 075428] Published Mon Aug 21, 2017

]]>We demonstrate that the defect mode in the bulk plasmon-polariton gap of one-dimensional defective metamaterial photonic crystals can be used to achieve a giant enhancement of more than four orders of magnitude in the second harmonic (SH) conversion efficiency only by changing the incidence angle. F...

[Phys. Rev. B 96, 075429] Published Mon Aug 21, 2017

]]>We investigate the effect of blinking on the two-photon interference measurement from two independent quantum emitters. We find that blinking significantly alters the statistics in the Hong-Ou-Mandel second-order intensity correlation function ${\mathrm{g}}^{\left(2\right)}\left(\tau \right)$ and the outcome of two-photon interference measu...

[Phys. Rev. B 96, 075430] Published Mon Aug 21, 2017

]]>By using first-principles electronic structure calculations, we find that material LaSb with extreme magnetoresistance (XMR) undergoes a topological phase transition without breaking any symmetry under a hydrostatic pressure applied between 3 and 4 GPa; meanwhile, the electron-hole compensation rema...

[Phys. Rev. B 96, 081112(R)] Published Mon Aug 21, 2017

]]>We investigate a class of multilayered metamaterials characterized by moderate-permittivity inclusions and low average permittivity. Via first-principles calculations, we show that in such a scenario, first- and second-order spatial dispersions may exhibit a dramatic and nonresonant enhancement, and...

[Phys. Rev. B 96, 081113(R)] Published Mon Aug 21, 2017

]]>Strain tuning is increasingly being recognized as a clean tuning parameter to induce novel behavior in quantum matter. Motivated by the possibility of straining graphene up to 20 percent, we investigate novel quantum criticality due to interplay between strain-induced anisotropic band structure and ...

[Phys. Rev. B 96, 085126] Published Mon Aug 21, 2017

]]>To solve the puzzle of metamagnetic phenomena in heavy-fermion systems, we have compared paramagnetic isostructural Ce and Yb systems, ${\mathrm{CeNi}}_{2}{\mathrm{Ge}}_{2}$ and ${\mathrm{YbNi}}_{2}{\mathrm{Ge}}_{2}$, both of which are located near a magnetic instability. The most intriguing result is the discovery of a metamagneticlike anomaly for isomorphi...

[Phys. Rev. B 96, 085127] Published Mon Aug 21, 2017

]]>Split-ring resonators (SRRs) are a fundamental building block of many electromagnetic metamaterials. Typically the response of a metamaterial is assumed to be independent of interelement interactions in the material. We show that SRRs in close proximity to each other exhibit a rich coupling that inv...

[Phys. Rev. B 96, 085426] Published Mon Aug 21, 2017

]]>We investigated the electronic structure of an ultrathin Cr oxide film prepared by growing about 0.8 monolayers of Cr on the oxygen-terminated $\mathrm{Fe}\left(001\right)\text{\u2212}p(1\times 1)\mathrm{O}$ surface and characterized by the formation of an ordered array of Cr vacancies producing a $\left(\sqrt{5}\times \sqrt{5}\right)R{27}^{\circ}$ superstructure. We combined experimental...

[Phys. Rev. B 96, 085427] Published Mon Aug 21, 2017

]]>Upon adsorption onto epitaxial graphene on Ir(111) at room temperature, Cs adatoms donate part of their charge to the substrate, which effectively creates mutually repelling entities that can diffuse across the graphene surface. By using scanning tunneling microscopy at 6 K, an ordered hexagonal str...

[Phys. Rev. B 96, 085428] Published Mon Aug 21, 2017

]]>We consider the full nonequilibrium response of a mesoscopic capacitor in the large transparency limit, exactly solving a model with electron-electron interactions appropriate for a cavity in the quantum Hall regime. For a cavity coupled to the electron reservoir via an ideal point contact, we show ...

[Phys. Rev. B 96, 085429] Published Mon Aug 21, 2017

]]>Recent progress in *extremely correlated Fermi liquid theory (ECFL)* and the *dynamical mean field theory (DMFT)* enables us to accurately compute in the $d\to \infty $ limit the resistivity of the $t-J$ model after setting $J\to 0$. This is also the $U=\infty $ Hubbard model. Since $J$ is set to zero, our study isolates the *dynam...*

[Phys. Rev. B 96, 054114] Published Fri Aug 18, 2017

]]>The tetragonal copper oxide ${\mathrm{Bi}}_{2}{\mathrm{CuO}}_{4}$ has an unusual crystal structure with a three-dimensional network of well separated ${\mathrm{CuO}}_{4}$ plaquettes. The spin structure of ${\mathrm{Bi}}_{2}{\mathrm{CuO}}_{4}$ in the magnetically ordered state below ${T}_{\text{N}}\sim 43$ K remains controversial. Here we present the results of detailed studies of specific he...

[Phys. Rev. B 96, 054424] Published Fri Aug 18, 2017

]]>The discovery of an enhanced superconducting transition temperature ${T}_{c}$ in monolayers of FeSe grown on several oxide substrates has opened a different route to high-${T}_{c}$ superconductivity through interface engineering. One proposal for the origin of the observed enhancement is an electron-phonon $(e$-ph)...

[Phys. Rev. B 96, 054515] Published Fri Aug 18, 2017

]]>Monolayer films of FeSe grown on ${\mathrm{SrTiO}}_{3}$ substrates exhibit significantly higher superconducting transition temperatures than those of bulk FeSe. Interaction of electrons in the FeSe layer with dipolar ${\mathrm{SrTiO}}_{3}$ phonons has been suggested as the cause of the enhanced transition temperature. In this pape...

[Phys. Rev. B 96, 054516] Published Fri Aug 18, 2017

]]>We present a consistent microscopic study of spin pumping effects for both metallic and insulating ferromagnets. As for the metallic case, we present a simple quantum mechanical picture of the effect as due to the electron spin flip as a result of a nonadiabatic (off-diagonal) spin gauge field. The ...

[Phys. Rev. B 96, 064423] Published Fri Aug 18, 2017

]]>We report a variation with temperature $T$ of the effective interdimeric interaction ${J}_{\mathrm{eff}}^{\prime}$ in the antiferromagnetic (AFM) copper dimeric organic compound ${\mathrm{Cu}}_{2}{\left[\mathrm{TzTs}\right]}_{4}$ $(N$-thiazol-2-yl-toluenesulfonamidate ${\mathrm{Cu}}^{\mathrm{II}})$. This $T$ dependence was obtained from measurements of the effects in the electron paramagnetic ...

[Phys. Rev. B 96, 064424] Published Fri Aug 18, 2017

]]>The wide ranging magnetic behavior in intermetallic compounds continues to attract broad interest. Effective control of their magnetic properties is of great importance for fundamental research and potential applications. In this work the structural and magnetic properties of $\mathrm{TbC}{\mathrm{o}}_{2}\mathrm{M}{\mathrm{n}}_{x}$ compounds are ...

[Phys. Rev. B 96, 064425] Published Fri Aug 18, 2017

]]>We report measurements of the de Haas–van Alphen effect in the layered heavy-fermion compound ${\mathrm{CePt}}_{2}{\mathrm{In}}_{7}$ in high magnetic fields up to 35 T. Above an angle-dependent threshold field, we observed several de Haas–van Alphen frequencies originating from almost ideally two-dimensional Fermi surfaces. The ...

[Phys. Rev. B 96, 075138] Published Fri Aug 18, 2017

]]>Motivated by recent experiments, we present a comprehensive theoretical study of the geometrically frustrated strongly correlated magnetic insulator ${\mathrm{Mn}}_{3}{\mathrm{O}}_{4}$ spinel oxide based on a microscopic Hamiltonian involving lattice, spin, and orbital degrees of freedom. Possessing the physics of degenerate ${e}_{g}$ ...

[Phys. Rev. B 96, 075139] Published Fri Aug 18, 2017

]]>The negatively charged nitrogen-vacancy $\left({\mathrm{NV}}^{-}\right)$ center in diamond is a promising candidate for many quantum applications. Here, we examine the splitting and broadening of the center's infrared (IR) zero-phonon line (ZPL). We develop a model for these effects that accounts for the strain induced by pho...

[Phys. Rev. B 96, 075205] Published Fri Aug 18, 2017

]]>We study Rabi oscillations detected in the coherent optical response from various exciton complexes in a 20-nm-thick CdTe/(Cd,Mg)Te quantum well using time-resolved photon echoes. In order to evaluate the role of exciton localization and inhomogeneous broadening we use selective excitation with spec...

[Phys. Rev. B 96, 075306] Published Fri Aug 18, 2017

]]>We show that the parallel magnetic field-induced increase in the critical electron density for the Anderson transition in a strongly interacting two-dimensional electron system is caused by the effects of exchange and correlations. If the transition occurs when electron spins are only partially pola...

[Phys. Rev. B 96, 075307] Published Fri Aug 18, 2017

]]>Commensurability oscillations in the magnetotransport of periodically patterned systems, emerging from the interplay of cyclotron orbit and pattern periodicity, are a benchmark of mesoscopic physics in electron gas systems. Exploiting similar effects in two-dimensional materials would allow exceptio...

[Phys. Rev. B 96, 075425] Published Fri Aug 18, 2017

]]>The broadband and ultrafast photoresponse of graphene has been extensively studied in recent years, although the photoexcited carrier dynamics is still far from being completely understood. Different experimental approaches imply either one of two fundamentally different scattering mechanisms for ho...

[Phys. Rev. B 96, 075426] Published Fri Aug 18, 2017

]]>We present ultralow-temperature thermal conductivity measurements on single crystals of the prototypical charge-density-wave material $1T\text{\u2212}{\mathrm{TaS}}_{2}$, which was recently argued to be a candidate for a quantum spin liquid. Our experiments show that the residual linear term of thermal conductivity at zero fie...

[Phys. Rev. B 96, 081111(R)] Published Fri Aug 18, 2017

]]>Novel solid-state qubits have a lot to offer for quantum information processing because of the potential simplicity of engineering quantum computational hardware similar to modern silicon-based electronics. This work presents optical and electron-spin properties of a novel germanium-vacancy defect in diamond. The defect center combines high brightness and exceptional spectral stability with microwave and optical access to electron spin. The combination of a spin-½ qubit and an optical interface makes possible of the germanium-vacancy defect in scalable quantum networks.

[Phys. Rev. B 96, 081201(R)] Published Fri Aug 18, 2017

]]>We investigate the influence of nuclear spins on the resistance of helical edge states of two-dimensional topological insulators (2DTIs). Via the hyperfine interaction, nuclear spins allow electron backscattering, otherwise forbidden by time-reversal symmetry. We identify two backscattering mechanis...

[Phys. Rev. B 96, 081405(R)] Published Fri Aug 18, 2017

]]>Based solely on the analytical properties of the single-particle Green's function of fermions at finite temperatures, we show that the generalized Luttinger theorem inherently possesses topological aspects. The topological interpretation of the generalized Luttinger theorem can be introduced because...

[Phys. Rev. B 96, 085124] Published Fri Aug 18, 2017

]]>In this paper, we propose a generalization of the $S$-duality of four-dimensional quantum electrodynamics (${\text{QED}}_{4}$) to ${\text{QED}}_{4}$ with fractionally charged excitations, the fractional $S$-duality. Such ${\text{QED}}_{4}$ can be obtained by gauging the $\text{U(1)}$ symmetry of a topologically ordered state with fractional charges. Whe...

[Phys. Rev. B 96, 085125] Published Fri Aug 18, 2017

]]>Evaluating the time-dependent dynamics of driven open quantum systems is relevant for a theoretical description of many systems, including molecular junctions, quantum dots, cavity-QED experiments, cold atoms experiments, and more. Here, we formulate a rigorous microscopic theory of an out-of-equili...

[Phys. Rev. B 96, 085425] Published Fri Aug 18, 2017

]]>We use density functional theory to study intrinsic defects and oxygen related defects in indium selenide. We find that InSe is prone to oxidation, but however not reacting with oxygen as strongly as phosphorene. The dominant intrinsic defects in In-rich material are the In interstitial, a shallow d...

[Phys. Rev. B 96, 054112] Published Thu Aug 17, 2017

]]>Analysis of statistical distributions and auto- and cross correlations of polarization and electric field during the field-driven polarization reversal in a bulk polycrystalline ferroelectric is performed. A mesoscopic switching model is used which accounts self-consistently for the development of d...

[Phys. Rev. B 96, 054113] Published Thu Aug 17, 2017

]]>Confinement – the process by which particles with fractional quantum numbers bind to form quasiparticles with integer quantum numbers – is as important to condensed matter as to particle physics. By a combination of inelastic neutron scattering experiments and theoretical calculations, the authors establish the compound SrCo${}_{2}$V${}_{2}$O${}_{8}$ as a beautiful paradigm for spinon confinement in a quasi-one-dimensional quantum magnet. In particular, using state-of-the-art theoretical techniques, the authors provide a quantitative and macroscopic explanation for the existence of free spinons above the ordering temperature. They also explain how those spinons get confined into pairs with transverse and longitudinal polarizations by interchain interactions as well as how these bound pairs evolve with temperature.

[Phys. Rev. B 96, 054423] Published Thu Aug 17, 2017

]]>The Andreev conductance across realistic two-dimensional (2D) normal-metal (N)/superconductor (SC) junctions with a relativistic Dirac spectrum is theoretically investigated within the Blonder-Tinkham-Klapwijk formalism with tunable tunneling transparency. It is known that due to the effect of Klein...

[Phys. Rev. B 96, 054514] Published Thu Aug 17, 2017

]]>Spatiotemporal modulations of the elastic properties of materials can be used to break time and parity symmetry of elastic waves. We show that the form of the elastic band structure depends not only on the spatial and temporal periodicity of a spatiotemporal modulation but also on its shape through ...

[Phys. Rev. B 96, 064304] Published Thu Aug 17, 2017

]]>The nonplanar sample surface is a crucial feature that must be taken into account for a good interpretation of magneto-optical observations of magnetic cylindrical microwires. This is due to the fact that a curved topography gives rise to a spatial distribution of local planes of incidence as a func...

[Phys. Rev. B 96, 064421] Published Thu Aug 17, 2017

]]>The magnetic properties of ${\mathrm{Fe}}_{2}\mathrm{Ta}$ and ${\mathrm{Fe}}_{2}\mathrm{W}$ in the hexagonal Laves phase are computed using density functional theory in the generalized gradient approximation, with the full potential linearized augmented plane-wave method. The alloy ${\mathrm{Fe}}_{2}{\mathrm{Ta}}_{1-x}{\mathrm{W}}_{x}$ is studied using the virtual crystal approximation to tr...

[Phys. Rev. B 96, 064422] Published Thu Aug 17, 2017

]]>We study the superconducting properties of the thin film BCS superconductor proximity coupled to a magnetically doped time-reversal invariant topological insulator (TI). Using mean-field theory, we show that Fulde-Ferrell (FF) pairing can be induced in the conventional superconductor through the inv...

[Phys. Rev. B 96, 064518] Published Thu Aug 17, 2017

]]>We present a detailed theoretical study of the electronic, magnetic, and structural properties of magnesiowüstite ${\mathrm{Fe}}_{1-x}{\mathrm{Mg}}_{x}\mathrm{O}$ with $x$ in the range between 0 and 0.875 using a fully charge self-consistent implementation of the density functional theory plus dynamical mean-field theory method. In particu...

[Phys. Rev. B 96, 075136] Published Thu Aug 17, 2017

]]>The lanthanum family of high-temperature cuprate superconductors is known to exhibit both spin and charge electronic modulations around a doping level of 1/8. We assume that these modulations have the character of a two-dimensional spin-vortex checkerboard and investigate whether this assumption is ...

[Phys. Rev. B 96, 075137] Published Thu Aug 17, 2017

]]>In most semiconductors and insulators the presence of a small density of charged impurities cannot be avoided, but their effect can be reduced by introducing defects of opposite charge. Screening in such a system leads to the formation of electron-hole puddles, which dominate bulk transport, as first recognized by Efros and Shklovskii. This paper investigates the typical length scale, which determines the distance between puddles and the suppression of puddle formation close to metallic surface states. The authors find that this length scale is much smaller than previously anticipated, with profound consequences for the sample quality of thin films of topological insulators.

[Phys. Rev. B 96, 075204] Published Thu Aug 17, 2017

]]>We show that the negative electronic compressibility of two-dimensional electronic systems at sufficiently low density enables the generation of charge-density waves through the application of a uniform force field, provided no current is allowed to flow. The wavelength of the density oscillations i...

[Phys. Rev. B 96, 075422] Published Thu Aug 17, 2017

]]>We study the effect of off-resonant plasmon modes on spaser threshold in nanoparticle-based spasers. We develop an analytical semiclassical model and derive spaser threshold condition accounting for gain coupling to higher-order plasmons. We show that such a coupling originates from inhomogeneity of...

[Phys. Rev. B 96, 075423] Published Thu Aug 17, 2017

]]>The monotonous increasing with temperature behavior of the neutralization of $\mathrm{Ga}{}^{+}$ scattered by a gold surface plus the nonmagnetic character of the ion induced to disregard the important electronic correlation effects. In this work, we show that contrary to this assumption, the electron-electron inte...

[Phys. Rev. B 96, 075424] Published Thu Aug 17, 2017

]]>[Phys. Rev. B 96, 079907] Published Thu Aug 17, 2017

]]>It is known that in two-dimensional relativistic Dirac systems, the Landau levels can collapse in the presence of a critical in-plane electric field. We extend this mechanism to three-dimensional Weyl semimetals, and we analyze the physical consequences for the cases of both real and pseudo Landau l...

[Phys. Rev. B 96, 081110(R)] Published Thu Aug 17, 2017

]]>An efficient first-principles approach to calculate x-ray magnetic circular dichroism (XMCD) and x-ray natural circular dichroism (XNCD) is developed and applied in the near-edge region at the $K$ and ${L}_{1}$ edges in solids. Computation of circular dichroism requires precise calculations of x-ray absorpti...

[Phys. Rev. B 96, 085123] Published Thu Aug 17, 2017

]]>The development of low cost and environmentally friendly organic electronic/optoelectronic devices has attracted a lot of interest. The integration of DNA and RNA nucleobases to improve the performance of organic light-emitting diodes has been proposed recently [Gomez *et al.*, Sci. Rep. **4**, 7105 (201...

[Phys. Rev. B 96, 085206] Published Thu Aug 17, 2017

]]>An approximate description of surface waves propagating along periodically grooved surfaces is intuitively developed in the limit where the grooves are narrow relative to the period. Considering acoustic and electromagnetic waves guided by rigid and perfectly conducting gratings, respectively, the w...

[Phys. Rev. B 96, 085424] Published Thu Aug 17, 2017

]]>To clarify the microscopic structure of densified $\mathrm{Si}{\mathrm{O}}_{2}$ glass, we have conducted *ab initio* molecular-dynamics simulations on the decompression process of $\mathrm{Si}{\mathrm{O}}_{2}$ glass in its relaxed state from high pressures up to 40 GPa. When decompressed from high pressures above at least 15 GPa, the density and stru...

[Phys. Rev. B 96, 054206] Published Wed Aug 16, 2017

]]>Periodically driven system may provide a route for realizing novel phases of matter. Particularly, Floquet topological insulators could be induced by resonantly driving a transition in a spin-orbit coupled quantum well. In this work, disorder, dynamics, and topology are all considered on the same footing within the realm of such phases. First, it is found that Floquet topological phases are robust to disorder. Next, it is found that disorder actually induces a transition into a Floquet topological phase, when the pure driven system is trivial. The resulting driven, disordered, topological phase is a realization of the Floquet topological Anderson insulator.

[Phys. Rev. B 96, 054207] Published Wed Aug 16, 2017

]]>For the case of ${\mathrm{Mn}}_{2}{\mathrm{GeO}}_{4}$ we characterize the complex magnetic phase that exists at temperatures below 5.5 K by order parameters for both the commensurate and the incommensurate ordering. For the incommensurate ordering we are forced to consider the transformation properties which interrelate magnetic...

[Phys. Rev. B 96, 054422] Published Wed Aug 16, 2017

]]>We develop a theory of the quasiparticle interference (QPI) in multiband superconductors based on the strong-coupling Eliashberg approach within the Born approximation. In the framework of this theory, we study dependencies of the QPI response function in the multiband superconductors with the nodel...

[Phys. Rev. B 96, 054513] Published Wed Aug 16, 2017

]]>The electrodynamic behavior of isotropic superconducting Nb films cooled below their critical temperature in the presence of in-plane applied magnetic fields is investigated using magneto-optical imaging. A specially designed local flux injector is used to show that the frozen-in in-plane vortices s...

[Phys. Rev. B 96, 060506(R)] Published Wed Aug 16, 2017

]]>The crystal structure, magnetic ordering, and electrical resistivity of $\mathrm{TlF}{\mathrm{e}}_{1.6}\mathrm{S}{\mathrm{e}}_{2}$ were studied at high pressures. Below $\sim 7\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$, $\mathrm{TlF}{\mathrm{e}}_{1.6}\mathrm{S}{\mathrm{e}}_{2}$ is an antiferromagnetically ordered semiconductor with a $\mathrm{ThC}{\mathrm{r}}_{2}\mathrm{S}{\mathrm{i}}_{2}$-type structure. The insulator-to-metal transformation observed at a pressure of $\sim 7\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$ is accomp...

[Phys. Rev. B 96, 064109] Published Wed Aug 16, 2017

]]>We study vortex domain wall dynamics in wide permalloy strips driven by applied magnetic fields and spin-polarized electric currents. As recently reported [V. Estévez and L. Laurson, Phys. Rev. B **93**, 064403 (2016)], for sufficiently wide strips and above a threshold field, periodic dynamics of the v...

[Phys. Rev. B 96, 064420] Published Wed Aug 16, 2017

]]>With a combination of simple analytical arguments and extensive numerical simulations, we theoretically propose a Josephson junction with $n+1$ superconductors where the current-phase relation can be toggled *in situ* between a $sin\left(\delta \phi \right)$ and $sin(\delta \phi /n)$ shape using an applied magnetic field. Focusing in par...

[Phys. Rev. B 96, 064516] Published Wed Aug 16, 2017

]]>The high pressure phases of HBr are explored with an *ab initio* crystal structure search. By taking into account the contribution of zero-point energy (ZPE), we find that the $P4/nmm$ phase of HBr is thermodynamically stable in the pressure range from 150 to 200 GPa. The superconducting critical temper...

[Phys. Rev. B 96, 064517] Published Wed Aug 16, 2017

]]>We present a systematic study of the spectral functions of a time-periodically driven Falicov-Kimball Hamiltonian. In the high-frequency limit, this system can be effectively described as a Harper-Hofstadter-Falicov-Kimball model. Using real-space Floquet dynamical mean-field theory (DMFT), we take ...

[Phys. Rev. B 96, 075134] Published Wed Aug 16, 2017

]]>Without access to the full quantum state, modeling dissipation in an open system requires approximations. The physical soundness of such approximations relies on using realistic microscopic models of dissipation that satisfy completely positive dynamical maps. Here we present an approach based on th...

[Phys. Rev. B 96, 075135] Published Wed Aug 16, 2017

]]>We extend our recent result for the spin-relaxation time due to acoustic electron-phonon scattering in degenerate bands with spin mixing [New J. Phys. **18**, 023012 (2016)] to include interactions with optical phonons, and present a numerical evaluation of the spin-relaxation time for intraband hole-ph...

[Phys. Rev. B 96, 075203] Published Wed Aug 16, 2017

]]>A relationship is derived between differences in electric polarization between bands and the “shift vector” that controls part of a material's bulk photocurrent, then demonstrated in several models. Electric polarization has a quantized gauge ambiguity and is normally observed at surfaces via the su...

[Phys. Rev. B 96, 075421] Published Wed Aug 16, 2017

]]>Rabi oscillations of a two-level atom appear as a quantum interference effect between the amplitudes associated with atomic superpositions, in analogy with the classic double-slit experiment which manifests a sinusoidal interference pattern. By extension, through direct detection of time-resolved re...

[Phys. Rev. B 96, 081404(R)] Published Wed Aug 16, 2017

]]>We investigate the effects of spin-orbit coupling (SOC) in a three-orbital impurity model with a Kanamori interaction using the numerical renormalization group method. We focus on the impurity occupancy ${N}_{d}=2$ relevant to the dynamical mean-field theory studies of Hund's metals. Depending on the stren...

[Phys. Rev. B 96, 085122] Published Wed Aug 16, 2017

]]>Fluorescent paramagnetic defects in solids have become attractive systems for quantum information processing in recent years. One of the leading contenders is the negatively charged nitrogen-vacancy (NV) defect in diamond with visible emission, but an alternative solution in a technologically mature...

[Phys. Rev. B 96, 085204] Published Wed Aug 16, 2017

]]>We have used angle-resolved photoemission spectroscopy to investigate the band structure of ${\mathrm{ReS}}_{2}$, a transition-metal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands, which we attribute to the combined influence of structural distorti...

[Phys. Rev. B 96, 085205] Published Wed Aug 16, 2017

]]>We investigate the time evolution towards the asymptotic steady state of a one-dimensional interacting system after a quantum quench. We show that at finite times the latter induces entanglement between right- and left-moving density excitations, encoded in their cross-correlators, which vanishes in...

[Phys. Rev. B 96, 085423] Published Wed Aug 16, 2017

]]>The temperature-induced structural and electronic transformation in ${\mathrm{VO}}_{2}$ between the monoclinic M1 and tetragonal rutile phases was studied by means of *ab initio* molecular dynamics, based on density functional theory with Hubbard correction (DFT+$U$). We compare the structure of both phases, transition...

[Phys. Rev. B 96, 054111] Published Tue Aug 15, 2017

]]>We investigate the effects in the spectral properties of a massive Dirac system of the dynamical renormalization induced by disorder/impurity scattering within the self-consistent Born approximation. We show how these effects lead to a remarkable closing of the bandgap edge. Above a critical value ${U}_{\mathrm{...}}$

[Phys. Rev. B 96, 054205] Published Tue Aug 15, 2017

]]>Magnetic aftereffect measurements on a synthetic antiferromagnet with strong perpendicular anisotropy are presented. Two types of magnetic transitions are observed in the CoFeB/Ta/CoFeB bilayer where the two ferromagnetic CoFeB layers are antiferromagnetically coupled: the transition from a parallel...

[Phys. Rev. B 96, 054421] Published Tue Aug 15, 2017

]]>[Phys. Rev. B 96, 059902] Published Tue Aug 15, 2017

]]>[Phys. Rev. B 96, 059903] Published Tue Aug 15, 2017

]]>We analyze the formation of Majorana zero modes at the edge of a two-dimensional topological superconductor. In particular, we study a time-reversal-invariant triplet phase that is likely to exist in doped ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$. Upon the introduction of an in-plane magnetic field to the superconductor, a gap is op...

[Phys. Rev. B 96, 060505(R)] Published Tue Aug 15, 2017

]]>We report the results of multifrequency high-magnetic-field electron-spin resonance (ESR) measurements on the highly frustrated antiferromagnet ${\mathrm{Ba}}_{2}{\mathrm{CoTeO}}_{6}$. This compound is magnetically composed of two subsystems A and B, which are described as a spin-1/2 triangular-lattice Heisenberg antiferromagnet...

[Phys. Rev. B 96, 064419] Published Tue Aug 15, 2017

]]>We investigate the formation of nonequilibrium superconducting states in driven alkali-doped fullerides ${A}_{3}{\mathrm{C}}_{60}$. Within a minimal three-orbital model for the superconductivity of these materials, it was recently demonstrated theoretically that an orbital-dependent imbalance of the interactions leads t...

[Phys. Rev. B 96, 064515] Published Tue Aug 15, 2017

]]>We study interaction effect of quantum spin Hall state in InAs/GaSb quantum wells under an in-plane magnetic field by using the self-consistent mean field theory. We construct a phase diagram as a function of intralayer and interlayer interactions, and identify two novel phases, a charge-/spin-densi...

[Phys. Rev. B 96, 075130] Published Tue Aug 15, 2017

]]>We study systems made of periodic arrays of one-dimensional quantum wires coupled by Coulomb interaction. Using bosonization an interacting metallic fixed point is obtained, which is shown to be a higher-dimensional analog of the Tomonaga-Luttinger liquid, or a sliding Luttinger liquid. This non-Fer...

[Phys. Rev. B 96, 075131] Published Tue Aug 15, 2017

]]>We did the resistivity and scanning tunneling microscope/spectroscopy (STM/STS) experiments at different temperatures and magnetic fields to investigate the origin of the turn-on (t-o) phenomenon of ${T}_{d}\text{\u2212}\mathrm{MoT}{\mathrm{e}}_{2}$. There are two interesting observations. Firstly, magnetoresistance (MR) follows the Kohler'...

[Phys. Rev. B 96, 075132] Published Tue Aug 15, 2017

]]>Albeit difficult to access experimentally, the density of states (DOS) is a key parameter in solid-state systems, which governs several important phenomena including transport, magnetism, thermal, and thermoelectric properties. We study DOS in an ensemble of potassium intercalated single-wall carbon...

[Phys. Rev. B 96, 075133] Published Tue Aug 15, 2017

]]>When the drive, which causes the level crossing in a qubit, is slow, the probability ${P}_{{\scriptscriptstyle LZ}}$ of the Landau-Zener transition is close to 1. In this regime, which is most promising for applications, the noise due to the coupling to the environment reduces the average ${P}_{{\scriptscriptstyle LZ}}$. At the same time, the survival pr...

[Phys. Rev. B 96, 075419] Published Tue Aug 15, 2017

]]>[Phys. Rev. B 96, 079906] Published Tue Aug 15, 2017

]]>The origin of the large thermopower in ${\mathrm{Na}}_{x}{\mathrm{CoO}}_{2}$ is complicated by correlation phenomena. To disentangle the effects from multiple interactions, we use angle-resolved photoemission to study ${\mathrm{K}}_{x}{\mathrm{RhO}}_{2}$, an isostructural analogy of ${\mathrm{Na}}_{x}{\mathrm{CoO}}_{2}$ with large thermopower and weak electron correlation. Using the expe...

[Phys. Rev. B 96, 081109(R)] Published Tue Aug 15, 2017

]]>The two degenerate ground states of the anisotropic Heisenberg ($XY$) spin model of a chain of qubits (pseudospins) can encode quantum information, but their degree of protection against local perturbations is known to be only partial. We examine the properties of the system in the presence of nonloca...

[Phys. Rev. B 96, 085121] Published Tue Aug 15, 2017

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