Related papers: First-principles study of spin orbit coupling cont…
Anisotropic superexchange interaction is one of the most important interactions in realizing exotic quantum magnetism, which is traditionally regarded to originate from magnetic ions and has no relation with the nonmagnetic ions. In our…
Spin-orbit coupling (SOC) in noncentrosymmetric materials is the source of incommensurate magnetic structures. In semiconductors, it drives the Rashba spin splitting and spin momentum locking, while in magnetic insulators based on…
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of…
In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…
The scenario of a metal-insulator transition driven by the onset of antiferromagnetic order in NaOsO$_3$ calls for a trustworthy derivation of the underlying effective spin Hamiltonian. To determine the latter we rely on {\it ab initio}…
We study how spin and orbital effects influence the capability of promoting Dzyaloshinskii-Moriya (DM) interaction by studying the two magnetic polar materials, Cu(IO3)2 (S = 1/2 with orbital contribution) and Mn(IO3)2 (S = 5/2 with…
In the present paper an influence of the anisotropic antisymmetric exchange interaction, the Dzialoshinskii-Moriya (DM) interaction, on entanglement of two qubits in various magnetic spin models, including the pure DM model and the most…
We theoretically study the impacts of linear spin-orbit coupling (SOC) on the Ruderman-Kittel-Kasuya-Yosida interaction between magnetic impurities in two kinds of three-dimensional noncentrosymmetric systems. It has been found that linear…
The spin-orbit interaction in semiconductors is shown to result in an anisotropic contribution into the exchange Hamiltonian of a pair of localized conduction-band electrons. The anisotropic exchange interaction exists in semiconductor…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
CrX$_3$ (X = Cl, Br, I) have the same crystal structure and Hamiltonian but different ligand spin-orbit coupling (SOC) constant $\lambda_X$, providing excellent material platform exploring for exotic two-dimensional (2D) spin orders. Their…
The influence of the spin-orbit coupling on the magnetic structure of deposited transition metal nanostructure systems has been studied by fully relativistic electronic structure calculations. The interplay of exchange coupling and magnetic…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
Spin-orbit coupling (SOC) gives rise to complex magnetic states such as spin liquids, skyrmion crystals, and topological spin-wave excitations. We consider exchange interactions in multi-orbital Mott insulators where SOC is strong on ligand…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin…
Anisotropic exchange couplings, such as the Dzyaloshinskii-Moriya interaction (DMI), have played a vital role in the formation and dynamics of spin textures. This work predicts an anisotropic conduction electron spin density in metals with…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
We present an overview of the microscopic theory of the Dzyaloshinskii-Moriya (DM) coupling in strongly correlated 3d compounds. Most attention in the paper centers around the derivation of the Dzyaloshinskii vector, its value, orientation,…
Spins in quantum dots can act as the qubit for quantum computation. In this context we point out that spins on neighboring dots will experience an anisotropic form of the exchange coupling, called the Dzyaloshinskii-Moriya (DM) interaction,…