Inspired by recent advances in atomic homo and heterostructures, we consider the vertical stacking of plasmonic lattices as a new degree of freedom to create a coupled system showing a modified optical response concerning the monolayer. The precise design of the stacking and the geometrical paramete...

[Phys. Rev. B 103, 195412] Published Tue May 11, 2021

]]>The physics of twisted bilayer graphene (TBG) is a complicated mélange of topology and interactions. A unified understanding of the correlated insulators in TBG emerges in this series of six papers (TBG1–TBG6). Starting from the physics of single-particle bands, TBG1 simplifies the physics of the infinite dimensional Bistritzer-Macdonald Hamiltonian to that of a 12-site model. TBG2 challenges the well-accepted thought that the active bands in TBG are fragile topological, and proves their stable topology. TBG3 and TBG4 analytically obtain the many-body interacting Hamiltonian, its symmetries, and the exact correlated insulator ground states at integer filling. TBG5 then obtains charge 0,+- 1,+-2 exact excitations above these ground states and their Goldstone modes, and proves the impossibility of pairing with repulsive projected interactions. Finally, TBG6 performs large-scale exact diagonalization studies, confirming the validity of the analytic results.

[Phys. Rev. B 103, 205411] Published Tue May 11, 2021

]]>We show that the entire continuous model of twisted bilayer graphene (TBG) (and not just the two active bands) with particle-hole symmetry is anomalous and hence incompatible with lattice models. Previous works [e.g., Z. Song, Z. Wang, W. Shi, G. Li, C. Fang, and B. A. Bernevig, Phys. Rev. Lett. **123**...

[Phys. Rev. B 103, 205412] Published Tue May 11, 2021

]]>We derive the explicit Hamiltonian of twisted bilayer graphene (TBG) with Coulomb interaction projected into the flat bands and study the symmetries of the Hamiltonian. First, we show that all projected TBG Hamiltonians can be written as positive semidefinite Hamiltonians, an example of which was fo...

[Phys. Rev. B 103, 205413] Published Tue May 11, 2021

]]>We derive the exact insulator ground states of the projected Hamiltonian of magic-angle twisted bilayer graphene (TBG) flat bands with Coulomb interactions in various limits, and study the perturbations away from these limits. We define the (first) chiral limit where the AA stacking hopping is zero,...

[Phys. Rev. B 103, 205414] Published Tue May 11, 2021

]]>We find exact analytic expressions for the energies and wave functions of the charged and neutral excitations above the exact ground states (at rational filling per unit cell) of projected Coulomb Hamiltonians in twisted bilayer graphene. Our exact expressions are valid for any form of the Coulomb i...

[Phys. Rev. B 103, 205415] Published Tue May 11, 2021

]]>Using exact diagonalization, we study the projected Hamiltonian with the Coulomb interaction in the eight flat bands of first magic angle twisted bilayer graphene. Employing the U(4) [$\mathrm{U}\left(4\right)\times \mathrm{U}\left(4\right)$] symmetries in the nonchiral (chiral) flat band limit, we reduced the Hilbert space to an extent that allo...

[Phys. Rev. B 103, 205416] Published Tue May 11, 2021

]]>We extend the damped Zaremba-Kohn model (dZK) for long-range dispersion interaction between a molecule and a planar surface [J. Tao, H. Tang, A. Patra, P. Bhattarai, and J. P. Perdew, Phys. Rev. B **97**, 165403 (2018)] to molecules adsorbed on a curved cylindrical surface, and employ this extended mode...

[Phys. Rev. B 103, 195410] Published Mon May 10, 2021

]]>At the single-particle level, twisted mirror-symmetric trilayer graphene decouples into a twisted graphene-bilayer-like contribution and a high-velocity Dirac fermion. This simple picture breaks down in the presence of interactions or perpendicular displacement fields, which couple the two mirror-symmetry sectors. Prompted by recent experimental discoveries, the authors derive and analyze the many-body Hamiltonian for twisted symmetric trilayer graphene. They unveil enlarged continuous symmetries beyond spin-valley rotations, including a hidden nonlocal one.

[Phys. Rev. B 103, 195411] Published Mon May 10, 2021

]]>We present a theoretical study of the onset of electric polarization close to a surface in magnetic materials and in thin films and multilayers. We consider two different paths that lead to the onset of multiferroic behavior at the boundary in materials that are bulk collinear ferromagnets (or even ...

[Phys. Rev. B 103, 205409] Published Mon May 10, 2021

]]>Spin pumping consists in the injection of spin currents into a nonmagnetic material due to the precession of an adjacent ferromagnet. In addition to the pumping of spin the precession always leads to pumping of heat, but in the presence of spin-orbital entanglement it also leads to a charge current....

[Phys. Rev. B 103, 205410] Published Mon May 10, 2021

]]>Every now and then one hears in the molecular electronics community that asymmetric couplings (${\mathrm{\Gamma}}_{s}\ne {\mathrm{\Gamma}}_{t}$) of the dominant level (molecular orbital) to electrodes ($s$ and $t$) which typically have shapes different from each other may be responsible for current rectification observed in experiments. Using a ...

[Phys. Rev. B 103, 195408] Published Fri May 07, 2021

]]>Level attraction can appear in driven systems where instead of repulsion, two modes coalesce in a region separated by two exceptional points. This behavior was proposed for optomechanical and optomagnonic systems, and recently it was observed for dissipative cavity magnon-polaritons. We demonstrate ...

[Phys. Rev. B 103, 195409] Published Fri May 07, 2021

]]>We propose a quantized Majorana pump (QMP) in semiconductor-superconductor heterostructures. The pump consists of a Majorana nanowire, i.e., a Rashba wire in proximity to an $s$-wave superconductor and in a magnetic field, and two ferromagnetic leads. When the orientation of the magnetic field is rota...

[Phys. Rev. B 103, 195407] Published Thu May 06, 2021

]]>One of the long-standing goals of quantum transport is to use the noise, rather than the average current, for information processing. However, achieving this requires on-demand control of quantum fluctuations in the electric current. In this paper, we demonstrate theoretically that transport through...

[Phys. Rev. B 103, 205408] Published Thu May 06, 2021

]]>The recently discovered two-dimensional (2D) layered semiconductor $\mathrm{Mo}{\mathrm{Si}}_{2}{\mathrm{N}}_{4}$ has aroused great interest due to its unique 2D material characteristics. In this study, we found that differences in the structural details for $\mathrm{Mo}{\mathrm{Si}}_{2}{\mathrm{N}}_{4}$ may lead to differences in the intensity of second harmonic generation (...

[Phys. Rev. B 103, 195404] Published Wed May 05, 2021

]]>Twisted atomic bilayers are emerging platforms for manipulating chiral light-matter interaction at the extreme nanoscale, due to their inherent magnetoelectric responses induced by the finite twist angle and quantum interlayer coupling between the atomic layers. Recent studies have reported the dire...

[Phys. Rev. B 103, 195405] Published Wed May 05, 2021

]]>Here, the authors use first-principles quantum mechanical scattering calculations to determine current distributions in thin metallic films and multilayers at finite temperatures, where the effect of electron-phonon scattering is included in the adiabatic approximation. The fully relativistic calculations describe transient shunting and size effects for layers more than 100 atoms thick. This makes it possible to search for improved interconnect materials or to study the influence of finite layer thicknesses on various effects in spintronics, such as the spin Hall effect.

[Phys. Rev. B 103, 195406] Published Wed May 05, 2021

]]>In the present work, we report different interlayer excitonic states of an aligned $\mathrm{Mo}{\mathrm{Se}}_{2}/\mathrm{Mo}{\mathrm{S}}_{2}$ incommensurate van der Waals (vdW) heterostructure (HS). The HS was fabricated by stacking chemical vapor deposited monolayers, and it was studied using photoluminescence (PL) measurements. We observed the ...

[Phys. Rev. B 103, 205406] Published Wed May 05, 2021

]]>We use magnetoconductivity to study the magnetic proximity effect on surface states of doped topological insulators. Our bilayers consist of a layer of ${\mathrm{Fe}}_{7}{\mathrm{Se}}_{8}$, which is a metallic ferrimagnet, and a layer of ${\mathrm{Bi}}_{0.8}{\mathrm{Sb}}_{1.2}{\mathrm{Te}}_{3}$, which is a highly hole-doped topological insulator. Using transport measureme...

[Phys. Rev. B 103, 205407] Published Wed May 05, 2021

]]>Using density functional theory within the generalized gradient approximation, we predict that monolayer vanadium oxyhydroxide (VOOH) and chromium oxyhydroxide (CrOOH) are two-dimensional (2D) ferromagnetic semiconductors. These two kinds of oxyhydroxides possess excellent thermal and dynamical stab...

[Phys. Rev. B 103, 195402] Published Tue May 04, 2021

]]>Optical rogue waves are demonstrated in the far-field scattered radiation from photonic arrays designed according to the aperiodic distributions of prime elements in complex quadratic fields. Specifically, by studying light diffraction from Eisenstein and Gaussian prime arrays, we establish a connec...

[Phys. Rev. B 103, 195403] Published Tue May 04, 2021

]]>Several monolayer transition metal dichalcogenides (TMDs) are direct band gap semiconductors and potentially efficient emitters in light emitting devices. Photons are emitted when strongly bound excitons decay radiatively, and accurate models of such excitons are important for a full understanding o...

[Phys. Rev. B 103, 205404] Published Tue May 04, 2021

]]>We successfully fabricated a ${\mathrm{MnBi}}_{2}{\mathrm{Te}}_{4}/{\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ heterostructure by incorporating Mn and Te inside the topmost quintuple layer of ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$, as unambiguously confirmed by low-energy electron diffraction $I\text{\u2212}V$ and scanning transmission electron microscopy measurements. The surface-state Dirac cone of the hete...

[Phys. Rev. B 103, 205405] Published Tue May 04, 2021

]]>Reading out Majorana bound states (MBSs) is essential both to verify their non-Abelian property and to realize topological quantum computation. Here, we construct a protocol to measure the parity of two MBSs in a Majorana island coupled to a double quantum dot (DQD). The parity information is mapped...

[Phys. Rev. B 103, 195401] Published Mon May 03, 2021

]]>Recent two-photon photoemission studies of silver have demonstrated that the energies of certain spectral lines do not exhibit Einstein’s linear scaling with the photon energy but stay pinned at double the plasmon energy above the Fermi level. Here, a theory of this peculiar effect is presented based on plasmonically assisted channels of photoemission, in which real plasmons excited in secondary processes act as excitation field for emitting electrons from the Fermi level at multiples of the plasmon energy. This reveals $n\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}n-E\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}s\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}a\phantom{\rule{0}{0ex}}n\phantom{\rule{0.333em}{0ex}}c\phantom{\rule{0}{0ex}}h\phantom{\rule{0}{0ex}}a\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}l\phantom{\rule{0}{0ex}}s\phantom{\rule{0.333em}{0ex}}o\phantom{\rule{0}{0ex}}f\phantom{\rule{0.333em}{0ex}}p\phantom{\rule{0}{0ex}}h\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}e\phantom{\rule{0}{0ex}}m\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}s\phantom{\rule{0}{0ex}}s\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o\phantom{\rule{0}{0ex}}n$ from metals.

[Phys. Rev. B 103, 205401] Published Mon May 03, 2021

]]>Charge noise remains the primary obstacle to the development of quantum information technologies with semiconductor spin qubits. We use an exact analytical calculation to determine the effects of quasistatic charge noise on a ring of three equally spaced exchange-coupled quantum dots. We calculate t...

[Phys. Rev. B 103, 205402] Published Mon May 03, 2021

]]>Twisted bilayer graphene is highly sensitive to external perturbations. Strains, and the presence of the substrate, break the symmetries of the central bands. The resulting changes in the Berry curvature lead to valley currents and to a nonlinear Hall effect. We show that these effects, described by...

[Phys. Rev. B 103, 205403] Published Mon May 03, 2021

]]>Transition metal dichalcogenides are expected to be used in transparent, flexible, and highly efficient light-emitting devices. Exciton diffusion is a key factor in device applications. In this study, we measured the photoluminescence (PL) decay of excitons in a ${\mathrm{MoS}}_{2}$ monolayer synthesized by chemica...

[Phys. Rev. B 103, L201401] Published Mon May 03, 2021

]]>We present a comprehensive and systematic study of thermal rectification in a prototypical low-dimensional quantum system—a nonlinear resonator: we identify necessary conditions to observe thermal rectification and we discuss strategies to maximize it. We focus, in particular, on the case where anha...

[Phys. Rev. B 103, 155434] Published Fri Apr 30, 2021

]]>During the last decades, quantum dots within the Coulomb blockade regime of transport have been proposed as essential building blocks for a wide variety of nanomachines. This includes thermoelectric devices, quantum shuttles, quantum pumps, and even quantum motors. However, in this regime, the role ...

[Phys. Rev. B 103, 155435] Published Fri Apr 30, 2021

]]>The tailoring of plasmonic near fields is central to the field of nanophotonics. Detailed knowledge of the field distribution is crucial for design and fabrication of plasmonic sensors, detectors, photovoltaics, plasmon-based circuits, nanomanipulators, electro-optic plasmonic modulators, and atomic...

[Phys. Rev. B 103, 165433] Published Fri Apr 30, 2021

]]>The interplay of strain engineering and photon-assisted tunneling of electrons in graphene is considered for giving rise to atypical transport phenomena. The combination of uniaxial strain and a time-periodic potential barrier helps to control the particle transmission for a wide range of tunable pa...

[Phys. Rev. B 103, 155433] Published Thu Apr 29, 2021

]]>We study the transient phenomena appearing in a subgap region of the double quantum dot coupled in series between the superconducting and normal metallic leads, focusing on the development of the superconducting proximity effect. For the uncorrelated nanostructure we derive explicit expressions of t...

[Phys. Rev. B 103, 165430] Published Thu Apr 29, 2021

]]>We show that many-body localization (MBL) effects can be observed in a finite chain of exchange-coupled spin qubits in the presence of both exchange and magnetic noise, a system that has been experimentally realized in semiconductors and is a potential solid-state quantum computing platform. In addi...

[Phys. Rev. B 103, 165431] Published Thu Apr 29, 2021

]]>We present exact analytical results for the differential conductance of a finite Kitaev chain in an N-S-N configuration, where the topological superconductor is contacted on both sides with normal leads. Our results are obtained with the Keldysh nonequilibrium Green's function technique, using the f...

[Phys. Rev. B 103, 165432] Published Thu Apr 29, 2021

]]>We report electrically tunable spin singlet and triplet exciton emission from atomically aligned transition metal dichalcogenide (TMD) heterostructures. The observation of these states in both 0° and 60° heterostructures provides the stacking orientation degree of freedom for polarization switching ...

[Phys. Rev. B 103, L161411] Published Thu Apr 29, 2021

]]>We study the tunneling magnetoresistance and the spin-valley transport in silicene-based magnetic superlattices. The superlattice profile is obtained by the periodic modulation of the exchange field induced by ferromagnetic electrodes. The silicene band gap in the superlattice structure is also modu...

[Phys. Rev. B 103, 155431] Published Wed Apr 28, 2021

]]>Using first-principles and *ab initio* molecular dynamics calculations, effects of temperatures on ferroelastic transition, band gap engineering, anisotropic carrier effective masses, and stability of transition metal adatom magnetization in phosphorene under tensile strains are investigated, which de...

[Phys. Rev. B 103, 155432] Published Wed Apr 28, 2021

]]>Recent experimental measurements of light absorption in few-layer black phosphorus (BP) revealed a series of high and sharp peaks, interspersed by pairs of lower and broader features. Here, we propose a theoretical model for these excitonic states in few-layer BP within a continuum approach for the ...

[Phys. Rev. B 103, 165428] Published Wed Apr 28, 2021

]]>We generalize Wentzel-Kramers-Brillouin (WKB) semiclassical equations for pseudospin-1 $\alpha -{\mathcal{T}}_{3}$ materials with arbitrary hopping parameter $0<\alpha <1$, which includes the dice lattice and graphene as two limiting cases. In conjunction with a series-expansion method in powers of Planck constant $\hslash $, we acq...

[Phys. Rev. B 103, 165429] Published Wed Apr 28, 2021

]]>The electronic properties of the Be(0001) surface are investigated on the atomic scale at low temperature. Utilizing laterally resolved scanning tunneling spectroscopy (STS) a pronounced surface state is identified, additionally manifested by the observation of bias-dependent standing-wave patterns....

[Phys. Rev. B 103, 155428] Published Tue Apr 27, 2021

]]>By using the single-band and multiband effective Hamiltonian for monolayer $X\mathrm{Se}$ ($X=\mathrm{In},\mathrm{Ga}$), we calculate the density-density response function of monolayer $X\mathrm{Se}$ ($X=\mathrm{In},\mathrm{Ga}$) and study its plasmon dispersion within the random-phase approximation. At long wavelengths ($q\to 0$), plasmon dispersion shows the loca...

[Phys. Rev. B 103, 155429] Published Tue Apr 27, 2021

]]>We determine magnon spectra of an atomic bilayer magnet with ferromagnetic intra- and both ferro- and antiferromagnetic interlayer coupling. Analytic expressions for the full magnon band of the latter case reveal that both exchange interactions govern the fundamental magnon gap. The inter- and intra...

[Phys. Rev. B 103, 155430] Published Tue Apr 27, 2021

]]>During the photoemission process the parallel component of the photoelectron momentum is conserved across the modulation plane of the wavefunction, which is the so-called reference plane. The identification of this plane is straightforward for low Miller-index surfaces, but questionable for surfaces of lower symmetry. In this work, the authors show experimentally the coexistence of two different reference planes for surface and bulklike quantum-well states of thin nanostructured films grown on a regularly stepped substrate.

[Phys. Rev. B 103, 165426] Published Tue Apr 27, 2021

]]>Previously engineered wave-bearing materials including metamaterials generate their acoustic responses from a combination of passive geometrical structures possibly augmented by active elements. The passive geometrical features typically translate to uncontrolled properties outside the band of inter...

[Phys. Rev. B 103, 165427] Published Tue Apr 27, 2021

]]>Charge noise is the main hurdle preventing high-fidelity operation, in particular that of two-qubit gates, of semiconductor-quantum-dot-based spin qubits. While certain sweet spots where charge noise is substantially suppressed have been demonstrated in several types of spin qubits, the existence of...

[Phys. Rev. B 103, L161409] Published Tue Apr 27, 2021

]]>Monolayer ${\mathrm{NbSe}}_{2}$ is a metallic two-dimensional (2D) transition-metal dichalcogenide material. Owing to the lattice structure and the strong atomic spin-orbit coupling (SOC) field, monolayer ${\mathrm{NbSe}}_{2}$ possesses Ising-type SOC which acts as an effective Zeeman field, leading to the unconventional topologic...

[Phys. Rev. B 103, L161410] Published Tue Apr 27, 2021

]]>In this work we investigate the electromagnetic local density of states (LDOS) near a twisted bilayer graphene (TBG) deposited over a general isotropic substrate. The band structure of the TBG is calculated within a tight-binding framework, and then used to determine the TBG's conductivity. The latt...

[Phys. Rev. B 103, 155423] Published Mon Apr 26, 2021

]]>We study backscattering of electrons and conductance suppression in a helical edge channel in two-dimensional topological insulators with broken axial spin symmetry in the presence of nonmagnetic point defects that create bound states. In this system the tunneling coupling of the edge and bound stat...

[Phys. Rev. B 103, 155424] Published Mon Apr 26, 2021

]]>We explore the topological aspect of dynamics in a microelectromechanical system (MEMS), which is a combination of an electric-circuit system and a mass-spring system. The simplest example is a sequential chain of capacitors and springs. It is shown that such a chain exhibits novel topological dynam...

[Phys. Rev. B 103, 155425] Published Mon Apr 26, 2021

]]>We theoretically investigate high harmonic generation (HHG) from silicon thin films with thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the most efficient thickness for producing intense HHG in the reflected and transmitted pulses. For this purpose, we employ a fe...

[Phys. Rev. B 103, 155426] Published Mon Apr 26, 2021

]]>A numerical solution to the time evolution equation of the Wigner distribution function (WDF) with an accuracy necessary to simulate the passage of a wave packet past a barrier is developed, where quantum effects require high accuracy and fine discretization. A wave packet incident on a barrier, a p...

[Phys. Rev. B 103, 155427] Published Mon Apr 26, 2021

]]>Ballistic transport and thermoelectric properties of group III-VI compounds ($XY:X=\mathrm{B}$, Al, Ga, In, Tl; $Y=\mathrm{O}$, S, Se, Te, Po) are investigated based on first-principles calculations and Landauer formalism. This large family is composed of 25 compounds which stands out with their unique electronic band st...

[Phys. Rev. B 103, 165422] Published Mon Apr 26, 2021

]]>Using the standard fluctuational electrodynamics framework, we analytically calculate the radiative heat current between two thin metallic layers, separated by a vacuum gap. We analyze different contributions to the heat current (traveling or evanescent waves, transverse electric or magnetic polariz...

[Phys. Rev. B 103, 165423] Published Mon Apr 26, 2021

]]>We investigate transport in a superconducting nanostructure housing a Weyl point in the spectrum of Andreev bound states. A minimum magnet state is realized in the vicinity of the point. One or more normal-metal leads are tunnel-coupled to the nanostructure. We have shown that this minimum magnetic ...

[Phys. Rev. B 103, 165424] Published Mon Apr 26, 2021

]]>Semiconductor quantum dots (QDs) acting as single-photon-emitters are potential building blocks for various applications in future quantum information technology. For such applications, a thorough understanding and precise control of charge states and capture/recombination dynamics of the QDs are vi...

[Phys. Rev. B 103, 165425] Published Mon Apr 26, 2021

]]>We investigate bilayer graphene systems with layer switching domain walls separating the two energetically equivalent Bernal stackings in the presence of an external magnetic field. To this end, we calculate quantum transport and local densities of three microscopic models for a single domain wall: ...

[Phys. Rev. B 103, 155422] Published Fri Apr 23, 2021

]]>Narrow and even flat energy bands reflect strong electronic correlation which brings in novel physical properties. Pursuing flatter band has recently attracted a lot of attention. Along this line, we theoretically investigate low-energy band structures and concomitant topological properties of twist...

[Phys. Rev. B 103, 165417] Published Fri Apr 23, 2021

]]>Refinements in energy monochromation and aberration correction in state-of-the-art scanning transmission electron microscopes has opened access to the far infrared regime for spectroscopic characterization at the nanoscale. At these low energies, the dielectric environment, such as a dielectric slab...

[Phys. Rev. B 103, 165418] Published Fri Apr 23, 2021

]]>We performed first-principles density functional theory (DFT) and $GW$ calculations to investigate electronic structures of bulk and few-layer ${\mathrm{PdSe}}_{2}$. We obtained the quasiparticle band structure of bulk ${\mathrm{PdSe}}_{2}$, and the obtained energy gap agrees excellently with the reported experimental value. For mon...

[Phys. Rev. B 103, 165419] Published Fri Apr 23, 2021

]]>Two-dimensional multiferroics, combined with ferroelastic and ferroelectric orders, enable unprecedented exploration of applications, such as high-density multistate storage. However, current ferroelastic-ferroelectric-multiferroic research is based on the paradigm of unique symmetry in a single-lay...

[Phys. Rev. B 103, 165420] Published Fri Apr 23, 2021

]]>Quantum system abruptly driven from its stationary phase can reveal nontrivial dynamics upon approaching a new final state. We investigate here such dynamics for a correlated quantum dot sandwiched between the metallic and superconducting leads, considering two types of quenches feasible experimenta...

[Phys. Rev. B 103, 155420] Published Thu Apr 22, 2021

]]>We present a theory of conducting quantum networks that accounts for Abelian and non-Abelian fields acting on spin carriers. We apply this approach to model the conductance of mesoscopic spin interferometers of different geometry (such as squares and rings), reproducing recent experimental findings ...

[Phys. Rev. B 103, 155419] Published Wed Apr 21, 2021

]]>Friedel oscillation is a well-known wave phenomenon which represents the oscillatory response of electron waves to imperfection. By utilizing the pseudospin-momentum locking in gapless graphene, two recent experiments demonstrate the measurement of the topological Berry phase by corresponding to the...

[Phys. Rev. B 103, L161407] Published Wed Apr 21, 2021

]]>For broad nanoscale applications, it is crucial to implement more functional properties, especially ferroic orders, into two-dimensional materials. Here, ${\mathrm{GdI}}_{3}$ is theoretically identified as a honeycomb antiferromagnet with a large $4f$ magnetic moment. The intercalation of metal atoms can dope electro...

[Phys. Rev. B 103, L161408] Published Wed Apr 21, 2021

]]>Quantum dots are arguably one of the best platforms for optically accessible spin-based qubits. The paramount demand of extended qubit storage time can be met by using a quantum-dot-confined dark exciton: a long-lived electron-hole pair with parallel spins. Despite its name, the dark exciton reveals...

[Phys. Rev. B 103, 155418] Published Tue Apr 20, 2021

]]>We develop a generic $\mathbf{k}\xb7\mathbf{p}$ open momentum space method for calculating the Hofstadter butterfly of both continuum (moiré) models and tight-binding models, where the quasimomentum is directly substituted by the Landau level (LL) operators. By taking a LL cutoff (and a reciprocal lattice cutoff for conti...

[Phys. Rev. B 103, L161405] Published Tue Apr 20, 2021

]]>Highly nonlinear optical phenomena can provide access to properties of electronic systems which are otherwise difficult to access through conventional linear optical spectroscopies. In particular, high-harmonic generation (HHG) in crystalline solids is strikingly different from that in atomic gases,...

[Phys. Rev. B 103, L161406] Published Tue Apr 20, 2021

]]>An all-optical approach to control interlayer charge transfer and interlayer exciton dynamics is demonstrated using transition metal dichalcogenide heterostructures of ${\mathrm{MoSe}}_{2}/{\mathrm{MoS}}_{2}$ and ${\mathrm{MoSe}}_{2}/{\mathrm{WS}}_{2}$ as examples. In the three-pulse pump-probe experiments, a control pulse injects photocarriers and produces ...

[Phys. Rev. B 103, 165416] Published Mon Apr 19, 2021

]]>We investigate the influence of thermal energy on the current flow and electron spin states in double quantum dots in series. The quadruplet Pauli spin blockade, which is caused by the quadruplet and doublet states, occurs at low temperatures affecting the transport properties. As the temperature in...

[Phys. Rev. B 103, 155414] Published Fri Apr 16, 2021

]]>Recently, the linear and nonlinear planar Hall effect (PHE) on the topological insulators (TIs) surface has been extensively studied in experiments. To explain this phenomenon, various microscopic mechanisms are proposed theoretically, and one has to employ different mechanisms to separately underst...

[Phys. Rev. B 103, 155415] Published Fri Apr 16, 2021

]]>We theoretically study the interaction of an ultrafast intense linearly polarized optical pulse with monolayers of transition metal dichalcogenides (TMDCs). Such a strong pulse redistributes electrons between the bands and generates femtosecond currents during the pulse. Due to the large bandwidth o...

[Phys. Rev. B 103, 155416] Published Fri Apr 16, 2021

]]>Non-Hermitian Hamiltonians are relevant to describe the features of a broad class of physical phenomena, ranging from photonics and atomic and molecular systems to nuclear physics and mesoscopic electronic systems. An important question relies on the understanding of the influence of a curved backgr...

[Phys. Rev. B 103, 155417] Published Fri Apr 16, 2021

]]>We explore the effect of valley-contrasting gaps in the optical response of two-dimensional anisotropic tilted Dirac systems. We study the spectrum of intraband and interband transitions through the joint density of states (JDOS), the optical conductivity tensor, and the Drude spectral weight. The e...

[Phys. Rev. B 103, 165415] Published Fri Apr 16, 2021

]]>We evaluate the microscopically relevant parameters for electrical transport of hybrid superconductor-semiconductor interfaces. In contrast to the commonly used geometrically constricted metallic systems, we focus on materials with dissimilar electronic properties like low-carrier density semiconduc...

[Phys. Rev. B 103, 165414] Published Thu Apr 15, 2021

]]>Proposing a theoretical model of the core level photoemission of metals, we investigate the plasmon-driven inelastic photoemission delays based on a nonperturbative treatment of many-electron responses due to the long-range Coulomb potential. Being irrelevant to the plasmon coupling strength as well...

[Phys. Rev. B 103, 165413] Published Wed Apr 14, 2021

]]>In this paper we calculate the time-dependent forces between a swift electron traveling at constant velocity and a metallic nanoparticle made of either aluminum or gold. We consider that the nanoparticle responds as an electric point dipole and we use classical electrodynamics to calculate the force...

[Phys. Rev. B 103, 155413] Published Tue Apr 13, 2021

]]>We show that the interband absorption of radiation in a two-dimensional (2D) Dirac material leads to a direct electric current flowing at sample edges. The photocurrent originates from the momentum alignment of electrons and holes and is controlled by the radiation polarization. We develop a microsc...

[Phys. Rev. B 103, 165411] Published Tue Apr 13, 2021

]]>We investigate the chemical reactivity of molecular populations confined inside a nanofluidic Fabry-Pérot cavity. Due to strong light-matter interactions developing between a resonant electromagnetic cavity mode and the electric dipole moment of the confined molecules, a collective polariton excitat...

[Phys. Rev. B 103, 165412] Published Tue Apr 13, 2021

]]>A metal-dielectric interface is usually modeled by a zero-width layer, where dielectric permittivity suffers a discontinuity jump. In reality, there is a narrow transition region, which includes an epsilon-near-zero (ENZ) layer. We show that due to a continuous dielectric function the dispersion of ...

[Phys. Rev. B 103, L161404] Published Tue Apr 13, 2021

]]>We study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential. In finite systems a transformation to represent the electroma...

[Phys. Rev. B 103, 155409] Published Mon Apr 12, 2021

]]>We study the edge states of twisted bilayer graphene and their topological origin. We show that the twisted bilayer graphene has special edge states associated with the moiré pattern, and the emergence of these moiré edge states is linked with the sliding Chern number, which describes topological ch...

[Phys. Rev. B 103, 155410] Published Mon Apr 12, 2021

]]>Based on the first-principles simulations within the framework of density functional theory, we predict that ${\mathrm{CoN}}_{4}{\mathrm{C}}_{2}$ is a single-atom-thick two-dimensional material, which is composed of ${\mathrm{CoN}}_{4}$ unit and ${\mathrm{C}}_{2}$ dimer. The cohesive energy and phonon dispersion calculations of ${\mathrm{CoN}}_{4}{\mathrm{C}}_{2}$ monolayer, as well as mol...

[Phys. Rev. B 103, 155411] Published Mon Apr 12, 2021

]]>We investigate the effect of local geometry and environment on the electronic spin of nitric oxide (NO) on Au(110)-($1\times 2$) using scanning tunneling microscopy/spectroscopy, density functional theory, and numerical renormalization group calculations. The molecules adsorb on the bridge or on-top sites, ...

[Phys. Rev. B 103, 155412] Published Mon Apr 12, 2021

]]>Recent advances in ultracold atoms in optical lattices and developments in surface science have allowed for the creation of artificial lattices as well as the control of many-body interactions. Such systems provide new settings to investigate interaction-driven instabilities and nontrivial topology....

[Phys. Rev. B 103, 165408] Published Mon Apr 12, 2021

]]>Thin films of topological insulators (TI) attract large attention because of expected topological effects from the intersurface hybridization of Dirac points. However, these effects may be depleted by unexpectedly large energy smearing $\mathrm{\Gamma}$ of surface Dirac points by the random potential of abundant Co...

[Phys. Rev. B 103, 165409] Published Mon Apr 12, 2021

]]>We study direct and indirect magnetoexcitons in Rydberg states in monolayers and double-layer heterostructures of Xenes (silicene, germanene, and stanene) in external parallel electric and magnetic fields applied perpendicular to the monolayer and heterostructure. We calculate binding energies of ma...

[Phys. Rev. B 103, 165410] Published Mon Apr 12, 2021

]]>Polaron tunneling is a prominent example of a problem characterized by different energy scales, for which the standard quantum Monte Carlo methods face a slowdown problem. We propose a quantum-tunneling Monte Carlo (QTMC) method which is free from this issue and can be used for a wide range of tunne...

[Phys. Rev. B 103, 155406] Published Fri Apr 09, 2021

]]>Very recent experiments have reported the tunneling between Yu-Shiba-Rusinov (YSR) bound states at the atomic scale. These experiments have been realized with the help of a scanning tunneling microscope where a superconducting tip is functionalized with a magnetic impurity and is used to probe anoth...

[Phys. Rev. B 103, 155407] Published Fri Apr 09, 2021

]]>Much effort has been devoted to the electronic properties of relatively thick $\mathrm{Zr}{\mathrm{Te}}_{5}$ crystals, focusing on their three-dimensional topological effects. Thin $\mathrm{Zr}{\mathrm{Te}}_{5}$ crystals, on the other hand, were much less explored experimentally. Here we present detailed magnetotransport studies of few-layer $\mathrm{Zr}{\mathrm{Te}}_{5}$ ...

[Phys. Rev. B 103, 155408] Published Fri Apr 09, 2021

]]>Materials with ring-shaped electronic bands are promising thermoelectric (TE) candidates since their unusual dispersion shape is predicted to give large power factors. In this paper, we use density functional theory to investigate single and double quintuple-layer ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3},\phantom{\rule{0.28em}{0ex}}{\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$, and ${\mathrm{Sb}}_{2}{\mathrm{Te}}_{3}$ and to co...

[Phys. Rev. B 103, 165406] Published Fri Apr 09, 2021

]]>We demonstrate a large magnetoresistance (MR) in a $\mathrm{Co}/\mathrm{Mo}{\mathrm{S}}_{2}/\mathrm{graphene}/\mathrm{Mo}{\mathrm{S}}_{2}/\mathrm{Co}$ magnetic tunnel junction by means of *ab initio* transport calculations. A Co electrode turns out to be an excellent spin injector for a $\mathrm{Mo}{\mathrm{S}}_{2}/\mathrm{graphene}/\mathrm{Mo}{\mathrm{S}}_{2}$ barrier. The transmission spectrum, current-voltage characteristics, s...

[Phys. Rev. B 103, 165407] Published Fri Apr 09, 2021

]]>The *ab initio* simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response of the electrochemical interface. It is essentially equal to...

[Phys. Rev. B 103, L161403] Published Fri Apr 09, 2021

]]>In this paper, the structural, electrical, and spin properties of Janus ${\mathrm{Si}}_{2}XY$ ($X,Y=\text{P}$, As, Sb, Bi) structures are studied using first-principles calculations. Elastic constants and phonon dispersion prove that all these structures are stable. The band structures of six compounds are studied and the e...

[Phys. Rev. B 103, 165404] Published Thu Apr 08, 2021

]]>In the diffraction of visible light by a dielectric microcylinder, packages of evanescent waves always arise. However, single plane-wave incidence corresponds to rather small impact of evanescent waves outside the cylinder. In this paper, we theoretically show that a pair of plane waves impinging a ...

[Phys. Rev. B 103, 165405] Published Thu Apr 08, 2021

]]>The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance (ESR)-based scanning tunneling microscopy can potentially address molecular structure with unprecedented resoluti...

[Phys. Rev. B 103, 155405] Published Wed Apr 07, 2021

]]>We theoretically study the spectrum induced by one and two magnetic impurities near the boundary of a one-dimensional nanowire in proximity to a conventional $s$-wave superconductor and extract the ground-state magnetic configuration. We show that the energies of the subgap states, supported by the ma...

[Phys. Rev. B 103, 165403] Published Wed Apr 07, 2021

]]>Twisted two-dimensional bilayer anisotropy materials exhibit many exotic physical phenomena. Manipulating the “twist angle” between the two layers enables the hybridization phenomenon of polaritons, resulting in fine control of the dispersion engineering of the polaritons in these structures. Here, ...

[Phys. Rev. B 103, 155404] Published Tue Apr 06, 2021

]]>High-flux photoelectron pulses with femto-nano spatiotemporal properties enhanced with plasmonic metallic nanostructures can provide possibilities for potential photoelectron-based devices. In this work, a large multiphoton photoemission enhancement in a single plasmonic Au-heptamer nanostructure, w...

[Phys. Rev. B 103, 155403] Published Mon Apr 05, 2021

]]>