LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer Physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

New dimension in magnetism and superconductivity: 3D and curvilinear nanoarchitectures

D Makarov, OM Volkov, A Kákay… - Advanced …, 2022 - Wiley Online Library
Traditionally, the primary field, where curvature has been at the heart of research, is the
theory of general relativity. In recent studies, however, the impact of curvilinear geometry …

Quantitative theory of magnetic interactions in solids

A Szilva, Y Kvashnin, EA Stepanov, L Nordström… - Reviews of Modern …, 2023 - APS
This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

Spin dynamics in single-molecule magnets and molecular qubits

D Aravena, E Ruiz - Dalton Transactions, 2020 - pubs.rsc.org
Over recent decades, much effort has been made to lengthen spin relaxation/decoherence
times of single-molecule magnets and molecular qubits by following different chemical …

Topological correspondence between magnetic space group representations and subdimensions

A Bouhon, GF Lange, RJ Slager - Physical Review B, 2021 - APS
The past years have seen rapid progress in the classification of topological materials. These
diagnostical methods are increasingly getting explored in the pertinent context of magnetic …

Relativistic exchange interactions in (, Br, I) monolayers

YO Kvashnin, A Bergman, AI Lichtenstein… - Physical Review B, 2020 - APS
It has been predicted theoretically and indirectly confirmed experimentally that single-layer
Cr X 3 (X= Cl, Br, I) might be the prototypes of topological magnetic insulators (TMI). In this …

Pathways for single-shot all-optical switching of magnetization in ferrimagnets

CS Davies, T Janssen, JH Mentink, A Tsukamoto… - Physical Review …, 2020 - APS
Single-shot helicity-independent all-optical switching of magnetization in ferrimagnets
represents the fastest known approach for deterministic data recording. Recently, it was …

Isolated zero field sub-10 nm skyrmions in ultrathin Co films

S Meyer, M Perini, S von Malottki, A Kubetzka… - Nature …, 2019 - nature.com
Due to their exceptional topological and dynamical properties magnetic skyrmions—
localized stable spin structures—show great promise for spintronic applications. To become …

Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics

J Tranchida, SJ Plimpton, P Thibaudeau… - Journal of …, 2018 - Elsevier
A parallel implementation of coupled spin–lattice dynamics in the LAMMPS molecular
dynamics package is presented. The approach is very general, and can be applied to simple …

Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions

S Ershadrad, S Ghosh, D Wang… - The Journal of …, 2022 - ACS Publications
Recent experiments on Fe5GeTe2 suggested the presence of a symmetry breaking of its
conventional crystal structure. Here, using density functional theory calculations, we …