相关论文: Exploring the Influence of (n-1)d Subvalence Corre…

One of the main characteristics of the new family of two-dimensional crystals of semiconducting transition metal dichalcogenides (TMD) is the strong spin-orbit interaction, which makes them very promising for future applications in…

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 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…

The spin-orbit splittings in the spectra of nuclei with mass numbers 5, 15 and 17 are studied within the framework of shell-model configuration mixing calculations including 2$\hbar \omega$ excitations. The contributions of the two-body…

The coupling between electron orbital momentum and spin momentum, known as spin-orbit coupling (SOC), is a fundamental origin of a multitude of fascinating physical phenomena, especially it holds paramount significance in the realm of…

Benchmark calculations on noncovalent interactions typically exclude correlation effects beyond valence CCSD(T) owing to their steep computational cost scaling. In this work, we consider their importance for water clusters, specifically,…

The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…

Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…

From the subsubleading chiral three-nucleon force [intermediate-range contributions, published in Phys. Rev. C\,87, 054007 (2013)] a density-dependent NN-interaction $V_\text{med}$ is derived in isospin-symmetric nuclear matter. Following…

We develop an effective tight-binding Hamiltonian for spin-orbit (SO) interaction in bent carbon nanotubes (CNT) for the electrons forming the $\pi$ bonds between the nearest neighbor atoms. We account for the bend of the CNT and the…

We study the influence of spin-orbit coupling on the hole states in InAs/GaAs quantum dots grown on [001]- and [111]-oriented substrates belonging to symmetry point groups: C2v, C3v and D2d. We investigate the impact of various spin-orbit…

We investigate the interplay of spin-orbit coupling (SOC) and electronic correlations in Sr2RuO4 using dynamical mean-field theory. We find that SOC does not affect the correlation-induced renormalizations, which validates the Hund's metal…

The structure of the second 0^+ state of ^{10}Be is investigated using a microscopic $\alpha+\alpha+n+n$ model based on the molecular-orbit (MO) model. The second 0^+ state, which has dominantly the (1/2^+)^2 configuration, is shown to have…

Using density functional based LDA+U method and linear-response theory, we study the magnetic exchange interactions of the superconductor Nd{1-x}Sr{x}NiO2. Our calculated nearest-neighbor exchange constant J1=82 meV is large, weakly…

We investigate the spin-orbit coupling (SOC) effects in $\alpha$- and $\kappa$-phase BEDT-TTF and BEDT-TSF organic salts. Contrary to the assumption that SOC in organics is negligible due to light C, S, H atoms, we show the relevance of…

Spin-orbit coupling (SOC) lifts molecular orbital degeneracy, enabling bi-level electronic platforms suitable for next-generation digital devices. However, common light-atom molecular feedstocks exhibit weak SOC due to the absence of heavy…

We compute correlation functions for one-dimensional electron systems which spin and charge degrees of freedom are coupled through spin-orbit coupling. Charge density waves, spin density waves, singlet- triplet- superconducting fluctuations…

The spin-orbit coupling (SOC) in semiconductors is strongly influenced by structural asymmetries, as prominently observed in bulk crystal structures that lack inversion symmetry. Here, we study an additional effect on the SOC: the asymmetry…

Spin-orbit coupling (SOC) relates to the interaction between an electron's motion and its spin, and is ubiquitous in solid-state systems. Although the effect of SOC in normal-state phenomena has been extensively studied, its role in…

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…