Related papers: Exchange interactions from a nonorthogonal basis s…
We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…
The magnetic force theorem provides convenient ways to study exchange interactions in magnetic systems. However, it is well known that short range interactions in itinerant magnetic systems are poorly described with the conventional use of…
Conventional superexchange rules predict ferromagnetic exchange interaction between Ni(II) and M (M=Mo(V), W(V), Nb(IV)). Recent experiments show that in some systems this superexchange is antiferromagnetic. To understand this feature, in…
Under the second-order degenerate perturbation theory, we show that the physics of $N$ particles with arbitrary spin confined in a one dimensional trap in the strongly interacting regime can be described by super-exchange interaction. An…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…
The induced-proximity effects of nearly commensurate lattice structure of a graphene layer on Ni(111) and Co(0001) substrates in the AC stacking configuration are addressed through an analytical tight-binding approach within the…
Using an ensemble of atoms in an optical cavity, we engineer a family of nonlocal Heisenberg Hamiltonians with continuously tunable anisotropy of the spin-spin couplings. We thus gain access to a rich phase diagram, including a…
We investigate from first principles a variety of low-dimensional open quantum spin systems based on magnetic nanographene structures that contain spin-1/2 and spin-1 triangulenes and/or olympicenes. These graphene nanostructures behave as…
We consider the mapping of tight-binding electronic structure theory to a local spin Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant-electron systems. Local spin Hamiltonians are introduced in…
We study the role of non-locality of exchange in a neutral zigzag graphene nanoribbon within the $\pi$-orbital unrestricted Hartree-Fock approximation. Within this theory we find that the magnetic features are further stabilized for both…
The method for calculating the isotropic exchange interactions in the paramagnetic phase is proposed. It is based on the mapping of the high-temperature expansion of the spin-spin correlation function calculated for the Heisenberg model…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
We calculate Heisenberg-type magnetic exchange interactions for SrMnO$_3$ under isotropic volume expansion using an approach that is based on total energy variations due to infinitesimal spin rotations around a given reference state. Our…
The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based molecular magnets: a trinuclear complex with a Schiff base…
We study the spin exchange between two electrons localized in separate quantum dots in graphene. The electronic states in the conduction band are coupled indirectly by tunneling to a common continuum of delocalized states in the valence…
We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…
The tunable band structure and nontrivial topology of multilayer rhombohedral graphene lead to a variety of correlated electronic states with isospin orders-meaning ordered states in the combined spin and valley degrees of freedom-dictated…
We investigate the spin-dependent thermoelectric effect of graphene flakes with magnetic edges in the ballistic regime. Employing static, respectively, dynamic mean-field theory we first show that magnetism appears at the zigzag edges for a…
Carbon based systems are prominent candidates for a solid-state spin-qubit due to weak spin-orbit and hyperfine interactions in combination with a low natural abundance of spin carrying isotopes. We consider the effect of the hyperfine…