Related papers: Exchange interactions and magnetic force theorem
Classical electrodynamics foresees that the effective interaction force between a moving charge and a magnetic dipole is modified by the time-varying total momentum of the interaction fields. We derive the equations of motion of the…
The interplay between spin and heat currents at magnetic insulator|nonmagnetic metal interfaces has been a subject of much scrutiny because of both fundamental physics and the promise for technological applications. While ferrimagnetic and,…
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…
The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of…
Time-dependent spin density functional theory (TD-SDFT) allows the theoretical description of spin and magnetization dynamics in electronic systems from first quantum mechanical principles. TD-SDFT accounts for electronic interaction…
We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…
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…
Time-dependent covariant density functional theory (TD-CDFT) combined with angular momentum projection is developed and applied to study multinucleon transfer (MNT) reactions, with a focus on the intrinsic angular momentum distributions of…
In quasi-fission, it is unclear what the interaction between the relative orbital angular momentum and the spin of the fragments is from a microscopic perspective. In macroscopic approaches, it is expected that the large value of the…
The exchange interaction among electrons is one of the most fundamental quantum mechanical interactions in nature and underlies any magnetic phenomena from ferromagnetic ordering to magnetic storage. The current technology is built upon a…
We develop a comprehensive description of static and dynamic spin-transfer torque at interfaces between a normal metal and a magnetic material. Specific examples of the latter include ferromagnets, collinear and noncollinear…
In recent years, the optical control of exchange interactions has emerged as an exciting new direction in the study of the ultrafast optical control of magnetic order. Here we review recent theoretical works on antiferromagnetic systems,…
In this study, we use Hubbard-Corrected density functional theory (DFT+$U$) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth nearest neighbors and bi-quadratic interactions. We map the…
The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments,…
Two channels of the sd exchange interaction are considered in magnetic junctions. The first channel describes the interaction of transversal spins with the lattice magnetization. The second one describes the interaction of longitudinal…
Motivated by experimental suggestions of anionic redox processes helping to design higher energy lithium ion-battery cathode materials, we investigate this effect using first-principles electronic structure calculations for Li-rich layered…
Magnetism in Ni-Mn-Z (Z = Ga,In,Sn,Sb) Heusler alloys has so far been predominantly attributed to Rudermann-Kittel-Kasuya-Yoshida type interactions between Mn atoms. We investigate magnetic interactions in one such alloy,…
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximations that often fail to capture the complexity of many-body…
Aperiodicity and un-conventional rotational symmetries allow quasicrystalline structures to exhibit unprecedented physical and functional properties. In magnetism, artificial ferromagnetic quasicrystals exhibited knee anomalies suggesting…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…