相关论文: Spin-orbit coupling effects on the stability of tw…

Spin-orbit coupling (SOC) plays an important role in determining the structural and electronic properties of recently proposed two-dimensional planar pentagonal materials. In this work, density functional theory calculations are employed to…

We have investigated the electronic structure of rare-earth tetraborides, $\textrm{RB}_{4}$, using first-principle electronic structure methods (DFT) implemented in Quantum Espresso (QE). In this article we have studied heather-to neglected…

Spin-orbit coupling (SOC) plays a crucial role in determining the spin structure of an odd parity psedospin-triplet Cooper pairing state. Here, we present a thorough study of how SOC lifts the degeneracy among different p-wave…

Recently, Bi-based compounds have attracted attentions because of the strong spin-orbit coupling (SOC). In this work, we figured out the role of SOC in ABi$_{3}$ (A=Sr and Ba) by theoretical investigation of the band structures, phonon…

We have studied in detail the electronic structure of IrO$_2$ including spin-orbit coupling (SOC) and electron-electron interaction, both within the GGA+U and GGA+DMFT approximations. Our calculations reveal that the Ir t$_{2g}$ states at…

We investigated effects of a Rashba-type spin-orbit coupling (SOC) on the condensed density and superfluid density tensor of a two-component Fermi gas in the BCS-BEC crossover at zero temperature. In anisotropic three dimensions (3D), we…

We investigate the effect of the twist angle on the proximity spin-orbit coupling (SOC) in graphene/NbSe$_2$ heterostructures from first principles. The low-energy Dirac bands of several different commensurate twisted supercells are fitted…

Spin-orbit coupling (SOC) is a relativistic effect, where an electron moving in an electric field experiences an effective magnetic field in its rest frame. In crystals without inversion symmetry, it lifts the spin degeneracy and leads to…

Realizing Majorana bound states in chains of magnetic impurities on $s$-wave superconducting substrates relies on a fine tuning of the energy and hybridization of the single magnetic impurity bound states and of the spin-orbit coupling…

The theoretical understanding of the spin-orbit coupling (SOC) effects at LaAlO$_{3}$/SrTiO$_{3}$ interfaces and SrTiO$_{3}$ surfaces is still in its infancy. We perform first-principles density-functional-theory calculations and derive…

We investigate the spin-orbit coupling (SOC) effects on the electronic structures and semi-classic transport coefficients of half-Heusler $\mathrm{ANiB}$ (A=Ti, Hf, Sc, Y; B=Sn, Sb, Bi) by using generalized gradient approximation (GGA).…

In this study, we employ density functional theory (DFT) based first-principles calculations to investigate the spin-orbit effects in the electronic structure of a polar-nonpolar sandwich heterostructure namely…

In the context of correlated insulators, where electron-electron interactions (U) drive the localization of charge carriers, the metal-insulator transition (MIT) is described as either bandwidth (BC) or filling (FC) controlled. Motivated by…

This research investigates the implication of spin-orbit interaction (SOI) and symmetry on the band topology and spin texture at the (001) surface of BiInO$_3$. Using density functional theory (DFT) and symmetry analysis, the study explores…

Using density functional theory calculations with spin-orbit coupling (SOC), we report on the temperature-dependent thermodynamical properties of Pb: electrical resistivity, thermal expansion (TE), heat capacity, bulk modulus and its…

The electronic structures and thermoelectric properties of semiconducting transition-metal dichalcogenide monolayers $\mathrm{MX_2}$ (M=Zr, Hf, Mo, W and Pt; X=S, Se and Te) are investigated by combining first-principles and Boltzmann…

We incorporate spin-orbit coupling (SOC) into effective Kugel-Khomskii models for the $n=1$ and $n=2$ members of the Ruddlesden-Popper series Sr$_{n+1}$Cr$_n$O$_{3n+1}$. These model contain interacting spins 1 and pseudospins 1/2 at each…

The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that…

The effect of spin-orbit coupling (SOC) on the electronic properties of monolayer (ML) PtSe$_2$ is dictated by the presence of the crystal inversion symmetry to exhibit spin polarized band without characteristic of spin splitting. Through…

Spin-orbit interaction affects the band structure of topological insulators beyond the opening of an inverted gap in the bulk bands, and the understanding of its effects on the surface states is of primary importance to access the…