Related papers: TB2J: a python package for computing magnetic inte…
Proposals for novel spin-orbitronic logic1 and memory devices2 are often predicated on assumptions as to how materials with large spin-orbit coupling interact with ferromagnets when in contact. Such interactions give rise to a host of novel…
An effective Hamiltonian is constructed for an insulating cuprate with edge-sharing chains Li2CuO2.The Hamiltonian contains the nearest and next-nearest neighboring intrachain and zigzag-type interchain interactions.The values of the…
Atomistic models like tight-binding (TB), bond-order potentials (BOP) and classical potentials describe the interatomic interaction in terms of mathematical functions with parameters that need to be adjusted for a particular material. The…
Rydberg atoms provide a powerful platform for exploring strongly interacting quantum systems, both in free space and in structured electromagnetic environments, with growing applications in quantum technology. Accurately modeling their…
We present an open-source Python package, SpinWaveToolkit (SWT), for (semi-)analytical modeling of spin-wave dynamics in thin ferromagnetic films and exchange-coupled magnetic bilayers. SWT combines analytical models based on the…
A dynamics of the precession of coupled atomic moments in the tight-binding (TB) approximation is presented. By implementing an angular penalty functional in the energy that captures the magnetic effective fields self-consistently, the…
We present a new tensor network algorithm for calculating the partition function of interacting quantum field theories in 2 dimensions. It is based on the Tensor Renormalization Group (TRG) protocol, adapted to operate entirely at the level…
We report an approach to obtain effective pair potentials which describe the structure of two-dimensional systems of active Brownian particles. The pair potential is found by an inverse method, which matches the radial distribution function…
The Dzyaloshinskii-Moriya Interaction (DMI) has recently attracted considerable interest owing to its fundamental role in the stabilization of chiral spin textures in ultrathin ferromagnets, which are interesting candidates for future…
A model calculation is presented with the aim to study the interplay between magnetic and structural transitions. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments. The band electrons…
The one dimensional closed interacting Kitaev chain and the dimerized version are studied. The topological invariants in terms of Green's function are calculated by the density matrix renormalization group method and the exact…
We investigate abilities of various linear response based techniques for extracting parameters of antisymmetric Dzyaloshinskii-Moriya (DM) interactions from the first-principles electronic structure calculations. For these purposes, we…
Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV$_4$S$_8$. The parameters…
Symmetry Adapted Perturbation Theory (SAPT) has become an important tool when predicting and analyzing intermolecular interactions. Unfortunately, DFT-SAPT, which uses Density Functional Theory (DFT) for the underlying monomers, has some…
A new scheme has been proposed to solve the B.E. condenstates in terms of Green's function approach. It has been shown that the radial wave function of two interacting atoms, moving in a common harmonic oscillator potential modified by an…
We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced density matrix (2RDM) of the multiplet, that is, of the mixed…
Pulsed-field magnetization experiments (fields $B$ of up to 85 T and temperatures $T$ down to 0.4 K) are reported on nine organic Cu-based two-dimensional (2D) Heisenberg magnets. All compounds show a low-$T$ magnetization that is concave…
Dipolar interactions are ubiquitous in nature and rule the behavior of a broad range of systems spanning from energy transfer in biological systems to quantum magnetism. Here, we study magnetization-conserving dipolar induced spin-exchange…
Finding the possible stopping sites for muons inside a crystalline sample is a key problem of muon spectroscopy. In a previous work, we suggested a computational approach to this problem, using Density Functional Theory software in…