Related papers: TB2J: a python package for computing magnetic inte…
OstravaJ is a Python package for high-throughput calculation of exchange interaction terms in the Heisenberg model for magnetic materials. It uses the total energy difference method, where calculations are based on the total energy of the…
We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping…
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…
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…
In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure…
To investigate the novel quantum dynamic behaviors of magnetic materials that arise from complex spin-spin interactions, it is necessary to probe the magnetic response at a speed greater than the spin-relaxation and dephasing processes.…
We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin…
A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic…
We study in this paper magnetic properties of a system of quantum Heisenberg spins interacting with each other via a ferromagnetic exchange interaction J and an in-plane Dzyaloshinskii-Moriya interaction D. The non-collinear ground state…
An new and accurate scheme to calculate the interatomic Dzyaloshinskii-Moriya interaction (DMI) parameters is presented, which is based on the fully relativistic Korringa-Kohn-Rostoker Green function (KKR-GF) technique. Corresponding…
We investigate the chiral magnetic order in free-standing planar 3$d$-5$d$ bi-atomic metallic chains (3$d$: Fe, Co; 5$d$: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric…
We present a Mathematica program package MagneticTB, which can generate the tight-binding model for arbitrary magnetic space group. The only input parameters in MagneticTB are the (magnetic) space group number and the orbital information in…
We represent an approach to calculate micromagnetic model parameters such as the tensor of exchange stiffness, Dzyaloshinskii-Moriya interaction (DMI) as well as spin-wave stiffness. The scheme is based on the fully relativistic…
A general formula for the orbital magnetic moment of interacting electrons in solids is derived using the many-electron Green function method. The formula factorizes into two parts, a part that contains the information about the…
We show that dipolar interactions between ultracold polar alkali dimers in optical lattices can be used to realize a highly tunable generalization of the t-J model, which we refer to as the t-J-V-W model. The model features long-range…
The recent development in the field of 2D magnetic materials urges reliable theoretical methodology for determination of magnetic properties. Among the available methods, ab initio four-state energy mapping based on Density Functional…
Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between transition-metal impurities is long-range, extends beyond a…
An extension of the Heisenberg Hamiltonian is discussed, that allows to go beyond the standard bilinear spin Hamiltonian taking into account various contributions due to multispin interactions having both chiral and non-chiral character.…
The magnon Hedin's equations are derived via the Schwinger functional derivative technique, and the resulting self-consistent Green's function method is used to calculate ground state spin patterns and magnetic structure factors for…
We consider a simple integrable model of a spin chain exhibiting the Magnetoelectric Effect (MEE). Starting from the periodic S=1/2 XXZ-chain with Dzyaloshinskii-Moriya terms, which we consider as a local electric polarization in the spirit…