Two-dimensional ferrovalley semiconductors with robust room-temperature ferromagnetism and sizable valley polarization hold great prospects for future miniature information storage devices. As a new member of the ferroic family, however, such materials have rarely been reported. By first-principles calculations, we identify that monolayer $\mathrm{Ce}{\mathrm{I}}_{\text{2}}$ is an intrinsic ferromagnetic semiconductor exhibits excellent ambient stability, strong easy in-plane...

In this paper, we propose a convenient strategy to accelerate the evaluation of lattice thermal conductivity through combining phonon Boltzmann transport equation (PBTE) and on-the-fly machine learning potential (FMLP). The diamond silicon ($d\text{\ensuremath{-}}\mathrm{Si}$) is evaluated firstly by density functional theory (DFT), FMLP, empirical with PBTE, respectively. results demonstrate proposed integrates prediction accuracy DFT computational speed potential, breaking dilemma...

A few novel two-dimensional (2D) CrX 2 (X = O, S, Se) binary compounds with high Curie temperature and magnetoelastic coupling are predicted based on first-principles calculations.

A few novel two-dimensional (2D) NiOX (X = Cl and Br) binary compounds with a high Curie temperature magnetoelastic coupling were identified using first-principles calculations.

Optical fields, as a type of information carrier, travels fast and can carry large in quantum processing transmission. Therefore, it’s concerned for the storage retrieval information. However, process optical field propagation, its dispersion diffraction effect cause distortion certain range. Comparing with light, solitons, which are from balance between (diffraction) nonlinearity system, possess higher stability fidelity carries, so that it has gained considerable attention ultra-cold...

To analyze heat generation in a quantum dot coupled to normal leads and subject an ac field, formula is derived for the generated Q using nonequilibrium Keldysh Green's function technique. The numerical results show that external field influences significantly generated. threshold bias decreases Vt=ω0−nω through photon absorption. Additional steps emerge from photon-assisted tunneling, width of step equal frequency ω height increases with magnitude field. For large V/ω, Q/ω curves display...

Landau levels (LLs) are modified by the Fröhlich interaction which we investigate within improved Wigner-Brillouin theory for energies both below and above longitudinal-optical-continuum in monolayer MoS2, WS2, MoSe2, WSe2. Polaron corrections to LLs enhanced MoS2 as compared WS2. A series of found at ℏωLO+lℏωc, addition, lifts degeneracy between nℏωc ℏωLO+lℏωc resulting an anticrossing. The screening effect due environment plays important role polaron energy corrections, also affected...

Using the tight-binding approach, we investigate energy spectrum of square, triangular, and hexagonal ${\mathrm{MoS}}_{2}$ quantum dots (QDs) in presence a perpendicular magnetic field. Novel edge states emerge QDs, which are distributed over whole call ring states. The robust spin-orbit coupling (SOC). corresponding levels oscillate as function field related to Aharonov-Bohm oscillations. Oscillations dependence peaks magneto-optical (disappear) formed (collapsed). period amplitude...

We investigate the spectral density of shot noise and current for system a quantum dot coupled to Majorana bound states (MBS) employing nonequilibrium Green's function. The at end wire strongly affect noise. There are two types coupling in system: dot-MBS MBS-MBS coupling. curves versus strength have novel steps owing energy-level splitting caused by magnitude these increases with λ but decreases shift toward large ∣eV∣ region as or ϵ(M) increases. In addition, enhances while suppresses...

We investigate the energy levels and persistent currents of MoS2 quantum rings having different shapes edge types in presence a perpendicular magnetic field by means tight-binding approach. find states localized at inner outer boundaries ring. These exhibit dependences for ring due to their localization properties. They both usual Aharanov–Bohm oscillations but with oscillation periods. In spin–orbit coupling, we show distinct spin charge states. well-defined negligibly small currents. This...

By using first-principles calculations combined with the phonon Boltzmann transport equation, in this work, we systematically investigate effect of magnetic order on and thermal properties intrinsic two dimensional magnet 2H-VSe2. The results show that 2H-VSe2 is dynamically stable both paramagnetic ferromagnetic phases, obvious discrepancy characteristic frequencies Raman-active modes provides a reliable way to identify phase. Meanwhile, our also indicate has vital properties. Around Curie...

We investigate the heat generation induced by electrical current in a normal-metal-molecular quantum dot-superconductor (NDS) system. By using nonequilibrium Green's function method, Q is derived and studied detail. The superconducting lead influences significantly. An obvious step appears — eV characteristics location of this related with phonon frequency ω0. generations exhibit very different behaviour condition < Δ > due to tunneling mechanism. From study eVg curves, there an extra peak...

Based on first‐principles calculations plus Hubbard U , we have studied the electronic structure and magnetic properties of Mn‐doped IIIA‐nitride monolayers. The substitution Mn for Al or Ga atom induces a total moment 4.00 µ B per dopant, independent choice functional. doped AlN system is half‐metallic at GGA + (&lt;5 eV) level, but semiconductor HSE06 (≥5 levels. GaN these two InN converts into metal without magnetism, due to robust p–d hybridization between Mn‐3 d N‐2 p states delocalized...

Using the nonequilibrium Green's function technique, we investigate current induced heat generation in Kondo regime. The effect influences significantly. In curve of versus bias, a negative differential is exhibited. symmetry destroyed by strong electron-electron interaction and electron-phonon interaction.

Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits with varying incident energy applied perpendicular magnetic field. These resonance peaks can be accurately fitted the well known curves. When field is to nanoring, oscillates periodically which reminiscent of Aharonov-Bohm effect. tightly related discrete states central some tunable by

We study the heat generation in quantum dot system with Fano resonance by nonequilibrium Green's functions method. The influences significantly. As ξ increases, decreases gradually. From of Q-eV curves, we find that linewidth function Λ has huge influence on generation. curves display obvious steps when is small. However, these disappear increasing. source-drain bias eV Q-eVg also interesting behaviors.

Topological properties of a double-stranded DNA (dsDNA) proximity-coupled by an s-wave superconductor are investigated, in which the energy spectra and differential conductance calculated within framework tight-binding approximation. Our results indicate that this dsDNA-superconductor system hosts Majorana zero modes (MZMs) when Zeeman field is perpendicular to helix axis, whereas no MZM could be observed parallel sharp contrast previous studies on nanowires including single-stranded DNA. In...

We study the propagation properties of a probe field in an aligned asymmetric triple quantum dot molecule with both sides inter-dot tunneling coupling effect. It is shown that can form optical soliton due to destructive interference induced by Interestingly, these solitons be stored and retrieved adjusting single or double effect, different from light memory ultra-cold atom system. Furthermore, we also find amplitude adjusted strength coupling. possible improve stability fidelity information...