[HTML][HTML] Stable and metastable rare-earth-free permanent magnets from a database of predicted crystal structures
With the recent developments in crystal structure prediction, databases of new (not
previously synthesized) materials are being created. One of these databases contains more …
previously synthesized) materials are being created. One of these databases contains more …
Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8
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 …
Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian …
Fate of entanglement in magnetism under Lindbladian or non-Markovian dynamics and conditions for their transition to Landau-Lifshitz-Gilbert classical dynamics
F Garcia-Gaitan, BK Nikolić - Physical Review B, 2024 - APS
The entanglement of many localized spins (LSs) within solid magnetic materials is a topic of
great basic and applied interest, particularly after becoming amenable to experimental …
great basic and applied interest, particularly after becoming amenable to experimental …
Origin of incommensurate magnetic order in the magnetic Weyl semimetals
We investigate rare-earth magnetic Weyl semimetals through first-principles simulations,
analyzing the connection between incommensurate magnetic order and the presence of …
analyzing the connection between incommensurate magnetic order and the presence of …
Magnetism in (): Complex landscape of dynamical magnetic textures
We have investigated the dynamical magnetic properties of the V-based kagome stibnite
compounds by combining the ab initio-extracted magnetic parameters of a spin-Hamiltonian …
compounds by combining the ab initio-extracted magnetic parameters of a spin-Hamiltonian …
Relativistic magnetic interactions from nonorthogonal basis sets
We propose a method to determine the magnetic exchange interaction and onsite
anisotropy tensors of extended Heisenberg spin models from density functional theory …
anisotropy tensors of extended Heisenberg spin models from density functional theory …
[HTML][HTML] First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe-Ni-Cr austenitic stainless steels
Abstract Short-range order (SRO), the regular and predictable arrangement of atoms over
short distances, alters the mechanical properties of technologically relevant structural …
short distances, alters the mechanical properties of technologically relevant structural …
Learning emergent models from many-body calculations
We present a generalized framework, renormalized density matrix downfolding (R-DMD), to
derive systematically improvable effective models from ab initio calculations. This framework …
derive systematically improvable effective models from ab initio calculations. This framework …
From electronic structure to magnetism and skyrmions
V Borisov - Electronic Structure, 2024 - iopscience.iop.org
Solid state theory, density functional theory and its generalizations for correlated systems
together with numerical simulations on supercomputers allow nowadays to model magnetic …
together with numerical simulations on supercomputers allow nowadays to model magnetic …
From electronic structure to magnetism and skyrmions (Topical review)
V Borisov - arXiv preprint arXiv:2310.08628, 2023 - arxiv.org
Solid state theory, density functional theory and its generalizations for correlated systems
together with numerical simulations on supercomputers allow nowadays to model magnetic …
together with numerical simulations on supercomputers allow nowadays to model magnetic …