Related papers: TB2J: a python package for computing magnetic inte…
While the density functional theory with integral equations techniques are very efficient tools in numerical analysis of complex fluids, an analytical insight into the phenomenon of effective interactions is still limited. In this paper we…
We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature…
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…
Condensed matter compounds typically form crystals, which break the rotational and translational invariance of space but remain invariant under a discrete set of symmetry operations. Understanding the effects allowed by this symmetry…
Spin-orbit coupling in organic crystals is responsible for many spin-relaxation phenomena, going from spin diffusion to intersystem crossing. With the goal of constructing effective spin-orbit Hamiltonians to be used in multiscale…
We study indirect exchange interactions between localized spins of magnetic impurities in spin-valley coupled systems described with the Kane-Mele model. Our model captures the main ingredients of the energy bands of 1H transition metal…
The temperature scaling of the micromagnetic Dzyaloshinsky-Moriya exchange interaction is calculated for the whole range of temperature. We use Green's function theory to derive the finite-temperature spin wave spectrum of ferromagnetic…
Dzyaloshinskii-Moriya interaction (DMI) is vital to form various chiral spin textures, novel behaviors of magnons and permits their potential applications in energy-efficient spintronic devices. Here, we realize a sizable bulk DMI in a…
Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular…
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an intuitive object-oriented Python application interface…
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain…
A new approach for calculations of Dzyaloshinskii-Moriya interactions in molecules and crystals is proposed. It is based on the exact perturbation expansion of total energy of weak ferromagnets in the canting angle with the only assumption…
We report on a direct measurement of sizable interfacial Dzyaloshinskii-Moriya interaction (iDMI) at the interface of two-dimensional transition metal dichalcogenide (2D-TMD), MoS$_{\rm 2}$ and Ni$_{80}$Fe$_{20}$ (Py) using Brillouin light…
Interfacing magnetism with superconductivity gives rise to a wonderful playground for intertwining key degrees of freedom: Cooper pairs, spin, charge, and spin-orbit interaction, from which emerge a wealth of exciting phenomena, fundamental…
In this work, we discuss the nature of Dzyaloshinskii-Moriya interaction (DMI) in transition metal heterostructures. We first derive the expression of DMI in the small spatial gradient limit using Keldysh formalism. This derivation provides…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
The Dzyaloshinskii-Moriya interaction (DMI), which is the antisymmetric part of the exchange interaction between neighboring local spins, winds the spin manifold and can stabilize non-trivial topological spin textures. Since topology is a…
In this work, we study the t-J model using a two-pole approximation within the composite operator method. We choose a basis of two composite operators -- the constrained electrons and their spin-fluctuation dressing -- and approximate their…
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of…
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…