It is straightforward to calculate the conductance of a quantum device once all its scattering centers are fully specified. However, to do this in reverse, i.e., to find information about the composition of scatterers in a device from its conductance, is an elusive task. This is particularly more ch...

[Phys. Rev. B 102, 075409] Published Wed Aug 05, 2020

]]>Nanoparticle plasmon resonances can be controlled using external magnetic fields or internal magnetization. The modified resonance condition is complicated, however, by the induced anisotropy of the dielectric response. Working within the electrostatic regime, we formulate a simple eigenvalue proble...

[Phys. Rev. B 102, 075410] Published Wed Aug 05, 2020

]]>We present an approach to describing fluctuational electrodynamic interactions, particularly van der Waals (vdW) interactions as well as radiative heat transfer (RHT), between material bodies of potentially vastly different length scales, allowing for going between atomistic and continuum treatments...

[Phys. Rev. B 102, 085403] Published Wed Aug 05, 2020

]]>We present a general nonequilibrium Green's function formalism for modeling heat transfer in systems characterized by linear response that establishes the formal algebraic relationships between phonon and radiative conduction, and reveals how upper bounds for the former can also be applied to the la...

[Phys. Rev. B 102, 085404] Published Wed Aug 05, 2020

]]>Recent experimental advances probing coherent phonon and electron transport in nanoscale devices at contact have motivated theoretical channel-based analyses of conduction based on the nonequilibrium Green's function formalism. Transmission through each channel is known to be bounded above by unity,...

[Phys. Rev. B 102, 085405] Published Wed Aug 05, 2020

]]>Due to its highly corrugated moiré structure and the nanometer modulation of its electronic properties, graphene deposited on ruthenium substrates (G-Ru for short) is a versatile playground for molecular deposition and chemical reactivity. Under local ultrahigh pressure conditions, one can expect an...

[Phys. Rev. B 102, 075406] Published Tue Aug 04, 2020

]]>Bilayer Heisenberg ferromagnetic insulators hold degenerate terahertz Dirac magnon modes associated with two opposite valleys of the hexagonal Brillouin zone. We show that this energy degeneracy can be removed by breaking of the inversion symmetry ($\mathcal{I}$), leading to a topological magnon valley current....

[Phys. Rev. B 102, 075407] Published Tue Aug 04, 2020

]]>The adsorption of CO on ${\mathrm{Pt}}_{4}$ clusters supported on graphene with lattice vacancies is studied theoretically using the first-principles calculation. Our results show that the electronic structure of the graphene-supported ${\mathrm{Pt}}_{4}$ clusters is significantly modified by the interaction with carbon dangling b...

[Phys. Rev. B 102, 075408] Published Tue Aug 04, 2020

]]>Laser-pulse-induced ultrafast electronic excitation energy transfer in molecular systems is studied theoretically. As a particular excitation channel, we consider the simultaneous transition of different molecules into their first excited state. Accordingly, a restricted picture of the total nonline...

[Phys. Rev. B 102, 075401] Published Mon Aug 03, 2020

]]>We study Shubnikov–de Haas oscillations in single crystals of TaAs and find a previously undetected two-dimensional quantum oscillation that does not belong to the bulk Fermi surface. We cannot find an impurity phase consistent with our observations, and extensive diffraction measurements have not s...

[Phys. Rev. B 102, 075402] Published Mon Aug 03, 2020

]]>We investigate the bulk topological proximity effect in multilayer hexagonal lattice systems by which one can introduce topological properties into a system composed of multiple trivial layers by tunnel coupling to a single nontrivial layer described by the Haldane model. In a multilayer system arra...

[Phys. Rev. B 102, 075403] Published Mon Aug 03, 2020

]]>We study the single-impurity problem in the non-Hermitian lattice described by the nonreciprocal Su-Schrieffer-Heeger model and obtain the phase diagram of localized bound states induced by the impurity. The existence of analytical results permits us to determine the phase boundaries exactly, which ...

[Phys. Rev. B 102, 075404] Published Mon Aug 03, 2020

]]>The local current flow through three small aromatic carbon molecules, namely, benzene, naphthalene, and anthracene, is studied. Applying density functional theory and the nonequilibrium Green's function method for transport, we demonstrate that pronounced current vortices exist at certain electron e...

[Phys. Rev. B 102, 075405] Published Mon Aug 03, 2020

]]>We study the constraints on reciprocal and non-reciprocal many-body radiative heat transfer imposed by symmetry and the second law of thermodynamics. We show that the symmetry of such a many-body system in general forms a magnetic group, and the constraints of the magnetic group on the heat transfer...

[Phys. Rev. B 102, 085401] Published Mon Aug 03, 2020

]]>In addition to the known pseudomagnetic field, nonuniform strains independently induce a position-dependent Fermi velocity (PDFV) in graphene. Here we demonstrate that, due to the presence of a PDFV, the Dirac fermions on a nonuniform (strained) honeycomb lattice may experiment a sort of magnetic ef...

[Phys. Rev. B 102, 035447] Published Fri Jul 31, 2020

]]>The subgap transport in electrostatically gapped bilayer graphene (BLG) is explored by adopting ultrashort constrictions of BLG. We confirmed the emergence of the edge conducting channels, with a residual conductance of $\sim 2{e}^{2}/h$ per edge of realistic disorder. Transport along the edge state exhibits e...

[Phys. Rev. B 102, 035448] Published Fri Jul 31, 2020

]]>We report on the far-infrared magnetospectroscopy of HgTe quantum wells with inverted band ordering at different electron concentrations. We particularly focus on optical transitions from zero-mode Landau levels, which split from the edges of electronlike and holelike bands. We observe a pronounced ...

[Phys. Rev. B 102, 041404(R)] Published Fri Jul 31, 2020

]]>The utilization of periodic structures such as photonic crystals and metasurfaces is common for light manipulation at nanoscales. One of the most widely used computational approaches to consider them and design effective optical devices is the Fourier modal method (FMM) based on Fourier decompositio...

[Phys. Rev. B 102, 045432] Published Fri Jul 31, 2020

]]>A basic result on the dynamics of spinless quantum systems is that the Maryland model exhibits dynamical localization in any dimension. Here we implement mathematical spectral theory and numerical experiments to show that this result does not hold when the two-dimensional Maryland model is endowed w...

[Phys. Rev. B 102, 045433] Published Fri Jul 31, 2020

]]>We investigate the electronic and spin structure of Pb atomic chains on a $\mathrm{Si}\left(100\right)-2\times 1$ surface using first-principles calculations. We revealed that the electronic spectra of linear dimerized Pb chains with orientations perpendicular and parallel to the Si dimers are characterized by one-dimensional ...

[Phys. Rev. B 102, 035442] Published Thu Jul 30, 2020

]]>We theoretically investigate the decay constant of surface plasmon polaritons in a Weyl semimetal and propose an experimental method for detecting Weyl semimetals. It is revealed that the surface plasmon polariton in a Weyl semimetal exhibits various characteristics depending on the plasmon wave vec...

[Phys. Rev. B 102, 035443] Published Thu Jul 30, 2020

]]>Magnetic materials with high mobilities are intriguing subjects of research from both fundamental and application perspectives. Based on first-principle calculations, we investigate the physical properties of the already synthesized $A\mathrm{MnBi}$ ($A=\mathrm{K}$, Rb, Cs) family materials. We show that these materials ...

[Phys. Rev. B 102, 035444] Published Thu Jul 30, 2020

]]>The observation of chiral-induced spin selectivity in biological molecules still awaits a full theoretical explanation. Many theoretical proposals were limited by Bardarson’s theorem, which forbids spin selectivity for single-channel transport between two terminals coupled by a time-reversal symmetric Hamiltonian. This paper offers a new possible explanation: spin selectivity can arise for helical molecules with only the time-reversal symmetric intra-atomic spin-orbit interaction, provided that the helical chain has two orbital states, e.g., the carbon $p$ states.

[Phys. Rev. B 102, 035445] Published Thu Jul 30, 2020

]]>A detailed study of the structural and magnetic properties of inverse spinel $\mathrm{Co}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$ nanoparticles and nanostructured $\mathrm{Co}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$ microgranules is made by the first-principles calculations. We have estimated the relative strengths of crystal fields, exchange fields, and magnetic exchange interactions us...

[Phys. Rev. B 102, 035446] Published Thu Jul 30, 2020

]]>We demonstrate the emergence and dynamics of intraparticle entanglement in massless Dirac fermions. This entanglement, generated by spin-orbit coupling, arises between the spin and sublattice pseudospin of electrons in graphene. The entanglement is a complex dynamic quantity but is generally large, ...

[Phys. Rev. B 102, 041403(R)] Published Thu Jul 30, 2020

]]>A Josephson junction in a topological superconductor can inject a charge $e/2$ into a normal-metal contact, carried by chiral Majorana edge modes. Here, we address the question whether this half-integer charge is a sharp observable, without quantum fluctuations. Because the Majorana modes are gapless,...

[Phys. Rev. B 102, 045431] Published Thu Jul 30, 2020

]]>We study the atomic and electronic structures of the commensurate double moiré superlattices in fully relaxed twisted bilayer graphene (TBG) nearly aligned with the hexagonal boron nitride (BN). The single-particle effective Hamiltonian (${\widehat{H}}^{0}$) taking into account the relaxation effect and the full mo...

[Phys. Rev. B 102, 035441] Published Wed Jul 29, 2020

]]>The chiral tunneling asymmetry for the transmission through a semiconductor interface with spin-orbit coupling (SOC) and antiparallel magnetization is presented from the perspective of the transfer Hamiltonian approach. We explicitly show that the expression for the tunneling rate contains terms whi...

[Phys. Rev. B 102, 045428] Published Wed Jul 29, 2020

]]>A quasinormal mode (QNM) coupling theory is proposed for a system of coupled resonators. The theory is generally applicable to systems with energy loss and arbitrary frequency dispersion of permittivity such as plasmonic nanoresonators. The QNM coupling coefficients in the theory are obtained with f...

[Phys. Rev. B 102, 045430] Published Wed Jul 29, 2020

]]>Electron-electron collisions are known to cause a nonlocal voltage drop in the presence of current flow. The semiphenomenological theory predicts this drop to be opposite to the direction of the current in the ballistic regime. We use a microscopic approach and show that the sign of this drop may be...

[Phys. Rev. B 102, 045426] Published Tue Jul 28, 2020

]]>Within the effective-mass approximation, we theoretically investigated the electronic and transport properties of 2D semiconductor quantum wires (QWs) with anisotropic effective masses and different orientations with respect to the anisotropic axis. The energy levels in the absence and presence of a...

[Phys. Rev. B 102, 045427] Published Tue Jul 28, 2020

]]>Energy transfer is an important photophysical process that plays a significant role in determining the performance of many optoelectronic and light-harvesting devices. Combining carrier dynamics measurements with Monte Carlo simulations, we study the influence of local microscopic structures on ener...

[Phys. Rev. B 102, 035437] Published Mon Jul 27, 2020

]]>The low-temperature spin-orbit density phase of Pb quantum wires on Si(557) was investigated by scanning tunneling microscopy. High resolution images of this phase allow the proposal of an atomistic model for the densely-packed Pb coverages on the (223) facets. A metal-insulator phase transition was...

[Phys. Rev. B 102, 035438] Published Mon Jul 27, 2020

]]>We consider the “transport” of the state of a spin across a Heisenberg-coupled spin chain via the use of repeated SWAP gates, starting with one of two states—one in which the leftmost spin is down and the others up, and one in which the leftmost two spins are in a singlet state (i.e., they are entan...

[Phys. Rev. B 102, 035439] Published Mon Jul 27, 2020

]]>The second-order nonlinear optical (NLO) processes, such as photogalvanic effect and second-order harmonic generation (SHG), play crucial roles in probing and controlling light-matter interactions for energy and device applications. Combining quantum perturbation theory and first-principles simulati...

[Phys. Rev. B 102, 035440] Published Mon Jul 27, 2020

]]>The clear evidence for the nuclear spin conversion of matrix-isolated ${\mathrm{H}}_{2}$ is presented. We trapped ${\mathrm{H}}_{2}$ in a ${\mathrm{CO}}_{2}$ film at 5.4 K and detected the induced infrared-absorption band including both the components of ortho and para ${\mathrm{H}}_{2}$. By analyzing its time evolution, the conversion rate was determined to be $\mathrm{...}$

[Phys. Rev. B 102, 041401(R)] Published Mon Jul 27, 2020

]]>The flat bands in twisted bilayer graphene (TBG) are known to carry a new type of topology called fragile topology. Here, the authors show that the flat bands in TBG have their Hofstadter butterfly generically connected with the Hofstadter butterfly of the higher bands, which is a topological signature of the fragile topology. This leads to Landau level gaps extending over multiple bands and closing the zero magnetic field band gaps, which is detectable by transport experiments in magnetic fields.

[Phys. Rev. B 102, 041402(R)] Published Mon Jul 27, 2020

]]>Following previous work on graphene on Ni(111) and Co(0001) surfaces [Phys. Rev. B **97**, 195405 (2018)], the spin polarization of graphene on a ${\mathrm{Co}}_{2}{\mathrm{FeGe}}_{0.5}{\mathrm{Ga}}_{0.5}$ (CFGG) (001) surface was examined using spin-polarized surface positronium spectroscopy. The graphene was found to be magnetically insulated f...

[Phys. Rev. B 102, 045425] Published Mon Jul 27, 2020

]]>Photonic crystal slabs (PCSs) are a well-studied class of devices known to support optical Fano resonances for light normally incident to the slab, useful for narrow-band filters, modulators, and nonlinear photonic devices. In shallow-etched PCSs the linewidth of the resonances is easily controlled ...

[Phys. Rev. B 102, 035434] Published Fri Jul 24, 2020

]]>We study quantum-charge and spin-transport properties and the effects of in-plane strain on the charge and spin currents in a phosphorene monolayer using an adiabatic pumping regime. To achieve this goal, we proposed a device with three external ac gate voltages as oscillating potential barriers tha...

[Phys. Rev. B 102, 035435] Published Fri Jul 24, 2020

]]>We analyze theoretically four-terminal electronic devices composed of two crossed graphene nanoribbons (GNRs) and show that they can function as beam splitters or mirrors. These features are identified for electrons in the low-energy region where a single valence or conduction band is present. Our m...

[Phys. Rev. B 102, 035436] Published Fri Jul 24, 2020

]]>Quasinormal mode (QNM) expansion is a popular tool to analyze light-matter interaction in nanoresonators. However, expanding far-field quantities such as the energy flux is an open problem because QNMs diverge with an increasing distance to the resonant systems. We introduce a theory to compute moda...

[Phys. Rev. B 102, 035432] Published Thu Jul 23, 2020

]]>In the present article the radiative thermal current and radiative resistance are introduced and investigated in a system of parallel slabs. The system is placed in an environment with a constant temperature and subjected to a constant temperature gradient, which causes a radiative energy flux throu...

[Phys. Rev. B 102, 035433] Published Thu Jul 23, 2020

]]>We provide evidence that, alongside topologically protected edge states, two-dimensional Chern insulators also support localized bulk states deep in their valence and conduction bands. These states manifest when local potential gradients are applied to the bulk, while all parts of the system remain ...

[Phys. Rev. B 102, 045424] Published Thu Jul 23, 2020

]]>We investigated the electronic structure of the $\mathrm{Si}\left(111\right)\u20137\times 7$ surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calculations. Previous experimental studies have questioned the ground state of this surface, which is expected to be metallic in a b...

[Phys. Rev. B 102, 035429] Published Wed Jul 22, 2020

]]>Using the tight-binding approximation combined with the mean-field Hubbard model and a Green's function approach, we designed a spin thermoelectric device in which the electrodes and the channel region consist of zigzag phosphorene nanoribbons. Our theoretical results show that applying a gate volta...

[Phys. Rev. B 102, 035430] Published Wed Jul 22, 2020

]]>The spin-selective transport through helical molecules has been a hot topic in condensed matter physics, because it develops a new research direction in spintronics, i.e., chiro-spintronics. Double-stranded DNA (dsDNA) molecules have been considered as promising candidates to study this topic, since...

[Phys. Rev. B 102, 035431] Published Wed Jul 22, 2020

]]>We investigate the nonequilibrium spin transport through an electron-phonon coupled quantum dot, on which an external magnetic field ${B}_{0}$ and a rotating magnetic field $[{B}_{1}cos\left({\omega}_{1}t\right),{B}_{1}sin\left({\omega}_{1}t\right)]$ are applied. It is found that the spin current is significantly affected by the destructive interference betwe...

[Phys. Rev. B 102, 045422] Published Wed Jul 22, 2020

]]>We generalize the celebrated semiclassical wave-packet approach from the adiabatic to the nonadiabatic regime. A unified description covering both of these regimes is particularly desired for systems with spatially varying band structures where band gaps of various sizes are simultaneously present, ...

[Phys. Rev. B 102, 045423] Published Wed Jul 22, 2020

]]>We study theoretically the band structures and angle-resolved photoemission spectroscopy of both monolayer and bilayer kagome lattices irradiated by variously polarized monochromatic light based on the Floquet-Bloch theory. The polarization of light plays distinctive roles in the different energy re...

[Phys. Rev. B 102, 035428] Published Tue Jul 21, 2020

]]>We consider plasmonic metasurfaces constituted by an arbitrary periodic arrangement of spherical metallic nanoparticles. Each nanoparticle supports three degenerate dipolar localized surface plasmon (LSP) resonances. In the regime where the interparticle distance is much smaller than the optical or ...

[Phys. Rev. B 102, 045420] Published Tue Jul 21, 2020

]]>Surface nanopatterns formed by ion beam sputtering (IBS) frequently include a high density of structural defects, which seriously limit their practical applications. Recent theoretical work [M. P. Harrison and R. M. Bradley, Phys. Rev. E **93**, 040802(R) (2016)], based on the anisotropic Kuramoto-Sivas...

[Phys. Rev. B 102, 045421] Published Tue Jul 21, 2020

]]>Motivated by the recent discovery of the Mott insulating phase and unconventional superconductivity due to the flat bands in twisted bilayer graphene, we propose more generic ways of getting two-dimensional (2D) emergent flat-band lattices using either 2D Dirac materials or ordinary electron gas (2D...

[Phys. Rev. B 102, 035425] Published Mon Jul 20, 2020

]]>Recently experiments have shown very significant spin activity in biological molecules such as DNA, proteins, oligopeptides, and aminoacids. Such molecules have in common their chiral structure, time reversal symmetry and the absence of magnetic exchange interactions. The spin activity is then assum...

[Phys. Rev. B 102, 035426] Published Mon Jul 20, 2020

]]>Recent experiments on semiconductor quantum dots have demonstrated the ability to utilize a large quantum dot to mediate superexchange interactions and generate entanglement between distant spins. This opens up a possible mechanism for selectively coupling pairs of remote spins in a larger network o...

[Phys. Rev. B 102, 035427] Published Mon Jul 20, 2020

]]>We study ballistic transport across a time-dependent barrier present on the surface of a three-dimensional topological insulator. We show that such a barrier can be implemented for Dirac electrons on the surface of a three-dimensional topological insulator by a combination of a proximate magnetic ma...

[Phys. Rev. B 102, 045419] Published Mon Jul 20, 2020

]]>Gated trilayer graphene exhibits an energy gap in its most stable ABC stacking. Here we show that when the stacking order changes from ABC to CBA, three gapless states appear in each valley. The states are topologically protected, and their number is related to the change in the valley Chern number ...

[Phys. Rev. B 102, 035424] Published Fri Jul 17, 2020

]]>We propose a hypothesis that the potential energy surface (PES) of interlayer interaction in diverse 2D materials can be universally described by the first spatial Fourier harmonics. This statement (checked previously for the interactions between graphene and hexagonal boron nitride layers in differ...

[Phys. Rev. B 102, 045418] Published Fri Jul 17, 2020

]]>Topological protection of edge state in quantum spin Hall systems relies only on time-reversal symmetry. Hence, ${S}_{z}$ conservation on the edge can be relaxed which can have an interferometric manifestation in terms of spin Berry phase. Primarily it could lead to the generation of spin Berry phase arisi...

[Phys. Rev. B 102, 035423] Published Thu Jul 16, 2020

]]>We consider a lateral heterojunction where the left and right leads are made of monolayer graphene and the middle region is made of a gapped tilted Dirac material (borophene or quinoid graphene) illuminated with off-resonant circularly polarized radiation. The tilt parameter ${v}_{t}$ makes the band gap in...

[Phys. Rev. B 102, 045417] Published Thu Jul 16, 2020

]]>The two distinct configurations of twisted double bilayer graphene have different valley Chern numbers in spite of the similarity between their band structures. Here, the authors show that such a topological difference results in significantly different energy spectra and valley Hall conductivities in a uniform magnetic field. In addition, the authors show that the lattice symmetry protects the valley degeneracy of the Landau levels in one of the systems, while such degeneracy is absent in the other.

[Phys. Rev. B 102, 035421] Published Wed Jul 15, 2020

]]>Plasmon-plasmon interactions are key in controlling light at the nanoscale and in the development of high-performance plasmonic devices. Sophisticated design and efficient dynamic control of such devices requires a precise description of both spectral responses and ultrafast temporal dynamics in pla...

[Phys. Rev. B 102, 035422] Published Wed Jul 15, 2020

]]>Nanotechnology has not only provided us the possibility of developing quantum machines but also noncanonical power sources able to drive them. Here we focus on studying the performance of quantum machines driven by arbitrary combinations of equilibrium reservoirs and a form of engineered reservoirs ...

[Phys. Rev. B 102, 045415] Published Wed Jul 15, 2020

]]>In this paper, we present a novel route to manipulate the spontaneous valley coherence in two-dimensional valleytronic materials interfaced with other layered materials hosting anisotropic polaritonic modes. We propose two implementations—one, using anisotropic plasmons in phosphorene and another wi...

[Phys. Rev. B 102, 045416] Published Wed Jul 15, 2020

]]>The topological classification of matter has been extended to include semimetallic phases characterized by the presence of topologically protected band degeneracies. In Weyl semimetals, the foundational gapless topological phase, chiral degeneracies are isolated near the Fermi level and give rise to...

[Phys. Rev. B 102, 035419] Published Tue Jul 14, 2020

]]>Recent discovery of two-dimensional (2D) magnetic materials has brought magnetism to the flatland and opened up exciting opportunities for the exploration of fundamental physics as well as novel device applications. Here, we predict a thermodynamically stable 2D magnetic material, ${\mathrm{K}}_{2}{\mathrm{CoS}}_{2}$, which reta...

[Phys. Rev. B 102, 035420] Published Tue Jul 14, 2020

]]>Two-dimensional ${\mathrm{Na}}_{3}\mathrm{Bi}$ is a dual topological insulator protected by time-reversal and mirror symmetry, resulting in a promising platform for device design. However, in reality, the design of topological devices is hindered by a sensitivity against disorder and temperature. We study the topological pr...

[Phys. Rev. B 102, 045414] Published Tue Jul 14, 2020

]]>We investigate the effect of long-range Coulomb interaction on the two-electron scattering in the integer quantum Hall regime at bulk filling factor two. We compute the dynamics of the exact two-particle wave function by means of a parallel version of the split-step Fourier method in a 2D potential ...

[Phys. Rev. B 102, 035417] Published Mon Jul 13, 2020

]]>Discrete quantum walks are periodically driven systems with discrete time evolution. In contrast to ordinary Floquet systems, no microscopic Hamiltonian exists, and the one-period time evolution is given directly by a series of unitary operators. Regarding each constituent unitary operator as a disc...

[Phys. Rev. B 102, 035418] Published Mon Jul 13, 2020

]]>This paper presents a study on electron field emission (FE) into ultrahigh vacuum (UHV) from a single, cleaned, graphene sheet where its single sheet nature has been carefully characterized and the emission zones are unambiguously the sheet edges. This definitive approach is in contrast to almost al...

[Phys. Rev. B 102, 035416] Published Fri Jul 10, 2020

]]>We consider a three-dimensional non-Hermitian exceptional line semimetal model and take open boundary conditions in the $x$, $y$, and $z$ directions separately. In each case, we calculate the parameter regions where the bulk-boundary correspondence is broken. The breakdown of the bulk-boundary corresponde...

[Phys. Rev. B 102, 045412] Published Fri Jul 10, 2020

]]>Photon-assisted tunneling frequently provides detailed information on the underlying charge-transfer process. In particular, the Tien-Gordon approach and its extensions predict that the sideband spacing in bias voltage is a direct fingerprint of the number of electrons transferred in a single tunnel...

[Phys. Rev. B 102, 045413] Published Fri Jul 10, 2020

]]>A major obstacle to reaching the wide applications of valleytronics operations is the lack of suitable anomalous valley Hall (AVH) materials, which should be easily fabricated and exhibit spontaneous valley polarization. Here, we identify an excellent two-dimensional AVH material, namely single-laye...

[Phys. Rev. B 102, 035412] Published Thu Jul 09, 2020

]]>We investigate tunneling dynamics of electrons from an ensemble of self-assembled InAs quantum dots into the subbands of a two-dimensional electron gas (2DEG). LO-phonon-assisted tunneling processes and tunneling into higher subbands of the 2DEG electronic structure cause distinct resonances in the ...

[Phys. Rev. B 102, 035413] Published Thu Jul 09, 2020

]]>We report three-pulse photodope-pump-probe measurements on photocarrier dynamics in semiconducting transition metal dichalcogenide monolayers of ${\mathrm{MoS}}_{2}$, ${\mathrm{WS}}_{2}$, ${\mathrm{MoSe}}_{2}$, and ${\mathrm{WSe}}_{2}$. The samples are fabricated by metal-organic chemical vapor deposition and mechanical exfoliation techniques and characterized b...

[Phys. Rev. B 102, 035414] Published Thu Jul 09, 2020

]]>We study the mechanical and electronic properties of heterobilayers composed of black phosphorus (BP) on hexagonal boron nitride (hBN) and of blue phosphorus (${\mathrm{P}}_{\mathrm{blue}}$) on hBN by means of *ab initio* density functional theory. Emphasis is put on how the stress applied on the constituent layers impact the...

[Phys. Rev. B 102, 035415] Published Thu Jul 09, 2020

]]>It is of fundamental importance but challenging to simultaneously identify atomic and magnetic configurations of two-dimensional van der Waals materials. In this work, we show that the nonreciprocal second-harmonic generation (SHG) can be a powerful tool to answer this challenge. Despite the preserv...

[Phys. Rev. B 102, 045411] Published Thu Jul 09, 2020

]]>We investigate the band structure of twisted monolayer-bilayer graphene (tMBG) trilayers, or twisted graphene on bilayer graphene, as a function of twist angles and perpendicular electric fields in search of optimal conditions for achieving isolated nearly flat bands. Narrow bandwidths comparable to...

[Phys. Rev. B 102, 035411] Published Wed Jul 08, 2020

]]>The propagation of Dirac fermions in graphene through a long-period periodic potential would result in a band folding together with the emergence of a series of cloned Dirac points (DPs) [C.-H. Park *et al.*, Nat. Phys. **4**, 213 (2008); C.-H. Park *et al.*Phys. Rev. Lett. **101**, 126804 (2008)]. In highly ...

[Phys. Rev. B 102, 045409] Published Wed Jul 08, 2020

]]>We present the theory and the application of a first-principle transport model employing a basis set obtained directly from the *ab initio* Bloch functions. We use a plane-wave density functional theory Hamiltonian and show that a judicious choice of the reduced basis set can effectively suppress the ...

[Phys. Rev. B 102, 045410] Published Wed Jul 08, 2020

]]>Using finite-difference time-domain simulations, we theoretically show that trapezoid *α*-phase molybdenum trioxide ($\alpha \text{\u2212}\mathrm{Mo}{\mathrm{O}}_{3}$) patch arrays can be used to achieve broadband perfect absorption due to its wide hyperbolic regions in infrared. In the merit of different reststrahlen (RS) bands for different ...

[Phys. Rev. B 102, 035408] Published Tue Jul 07, 2020

]]>The orbital Hall effect (OHE) is the phenomenon of transverse flow of orbital moment in the presence of an applied electric field. Solids with broken inversion symmetry are expected to exhibit a strong OHE due to the presence of an intrinsic orbital moment at individual momentum points in the Brillo...

[Phys. Rev. B 102, 035409] Published Tue Jul 07, 2020

]]>Charge exchange and kinetic energy loss of slow highly charged xenon ions transmitted through freestanding monolayer ${\mathrm{MoS}}_{2}$ are studied. Two distinct exit charge state distributions, characterized by high and low charge states, are observed. They are accompanied by smaller and larger kinetic energy lo...

[Phys. Rev. B 102, 045408] Published Tue Jul 07, 2020

]]>We demonstrate here electrical control of the sign of the circularly polarized emission from the negatively charged trion, going from co- to contrapolarized with respect to the circular polarization of the laser, using a GaAs/AlAs quantum dot (QD) embedded in a field effect structure. The voltage ra...

[Phys. Rev. B 102, 035406] Published Mon Jul 06, 2020

]]>Electromigration, due to its technological and scientific significance, has been a subject of extensive studies for many years. We present evidence of electromigration in dielectric materials, namely $C$-plane sapphire, obtained from direct experimental observation of an atomic step-bunching instabili...

[Phys. Rev. B 102, 035407] Published Mon Jul 06, 2020

]]>Here, the authors report on the observation of edge electric currents excited in bilayer graphene by terahertz laser radiation. The photocurrent’s sign and direction are controlled by the radiation polarization state. In the presence of a magnetic field $B$, the photocurrent exhibits 1/$B$-periodic oscillations. The theory developed here shows that the photocurrent is formed in the vicinity of the edge and originates from the alignment of the free charge carrier momenta with dynamic accumulation of charge at the edges where the $P$ symmetry is broken.

[Phys. Rev. B 102, 045406] Published Mon Jul 06, 2020

]]>We study electron transport in two-dimensional materials with parabolic and linear (graphene) dispersions of the carriers in the presence of surface acoustic waves and an external magnetic field using semiclassical Boltzmann equations approach. We observe an oscillatory behavior of both the longitud...

[Phys. Rev. B 102, 045407] Published Mon Jul 06, 2020

]]>We theoretically demonstrate an approach for designing absorbers with strongly intensity-dependent absorption. The proposed absorbers consist of a spacer layer between a top resistive sheet and an underlying metallic substrate, akin to the traditional Salisbury screen, except for the use of an epsil...

[Phys. Rev. B 102, 035404] Published Thu Jul 02, 2020

]]>We report the implementation of the fully relativistic exact muffin-tin orbital (EMTO) method for both first-principles electronic structure and quantum transport simulation of magnetic and nonmagnetic device materials. We consider a device-material system containing the inevitable atomic disorders ...

[Phys. Rev. B 102, 035405] Published Thu Jul 02, 2020

]]>Resonant tunneling of electrons between two ferromagnets and a quantum dot in the presence of an externally applied magnetic field reveals a strong gate dependence in the linear and nonlinear bias regime. This gate dependence originates from the interplay between Coulomb interactions and spin-depend...

[Phys. Rev. B 102, 045404] Published Thu Jul 02, 2020

]]>Two-photon absorption holds potential for many practical applications. We theoretically investigate the onset of this phenomenon in a semiconductor quantum dot–metallic nanoshell composite subjected to a resonant CW excitation. Two-photon absorption in this system may occur in two ways: incoherent—d...

[Phys. Rev. B 102, 045405] Published Thu Jul 02, 2020

]]>Spin-momentum locking, a key property of the surface states of three-dimensional topological insulators (3DTIs), provides a new avenue for spintronics applications. One consequence of spin-momentum locking is the induction of surface spin accumulations due to applied electric fields. In this paper, ...

[Phys. Rev. B 102, 035401] Published Wed Jul 01, 2020

]]>Using a semiclassical approach, we derive a fully analytical expression for the ionization rate of excitons in two-dimensional materials due to an external static electric field, which eliminates the need for complicated numerical calculations. Our formula shows quantitative agreement with more soph...

[Phys. Rev. B 102, 035402] Published Wed Jul 01, 2020

]]>The study of an external force triggering the many-electron redistribution in nanostructures is of importance for both theoretical and practical interest in condensed matter physics. Hence, the goal of this contribution is to theoretically investigate the influence of an external electric field (EEF...

[Phys. Rev. B 102, 035403] Published Wed Jul 01, 2020

]]>We study how a system of one-dimensional spin-$\frac{1}{2}$ fermions at temperatures well below the Fermi energy approaches thermal equilibrium. The interactions between fermions are assumed to be weak and are accounted for within the perturbation theory. In the absence of an external magnetic field, spin dege...

[Phys. Rev. B 102, 045401] Published Wed Jul 01, 2020

]]>Many efforts have been devoted to understanding the origin and effects of magnetic moments induced in graphene with carbon atom vacancy, and light adatoms like hydrogen or fluorine. In the meantime, the large negative magnetoresistance (*MR*) widely observed in these systems is not well understood, no...

[Phys. Rev. B 102, 045402] Published Wed Jul 01, 2020

]]>First-principles calculations of surfaces or two-dimensional materials with a finite surface charge invariably include an implicit or explicit compensating countercharge. We show that an ideal constant-charge counterelectrode in the vacuum region can be introduced by means of a simple correction to ...

[Phys. Rev. B 102, 045403] Published Wed Jul 01, 2020

]]>Shift current is the dominant dc-current response in the bulk photovoltaic effect (BPVE), which is the conversion of solar energy into electricity in the materials with broken inversion symmetry. While the guiding principle of BPVE is a lack of inversion symmetry in a material which also results in ...

[Phys. Rev. B 101, 235448] Published Tue Jun 30, 2020

]]>Motivated by recent scanning tunneling microscopy experiments on single magnetic impurities on superconducting surfaces, we present here a comprehensive theoretical study of the interplay between Yu-Shiba-Rusinov bound states and (multiple) Andreev reflections. Our theory is based on a combination o...

[Phys. Rev. B 101, 235445] Published Mon Jun 29, 2020

]]>We study the Casimir effect in a system composed of two Weyl semimetals (WSMs) separated by a gap filled with a chiral medium. We calculate the optical response of the material to chiral photons in order to calculate the Casimir force. We find that if the medium between the two WSMs is a Faraday mat...

[Phys. Rev. B 101, 235446] Published Mon Jun 29, 2020

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