Quantitative theory of magnetic interactions in solids
This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
General method for atomistic spin-lattice dynamics with first-principles accuracy
We present a computationally efficient and general first-principles based method for spin-
lattice simulations for solids and clusters. The method is based on a coupling of atomistic …
lattice simulations for solids and clusters. The method is based on a coupling of atomistic …
Efficient parameterisation of non-collinear energy landscapes in itinerant magnets
A Jacobsson, G Johansson, OI Gorbatov, M Ležaić… - Scientific reports, 2022 - nature.com
Magnetic exchange interactions determine the magnetic groundstate, as well as magnetic
excitations of materials and are thus essential to the emerging and fast evolving fields of …
excitations of materials and are thus essential to the emerging and fast evolving fields of …
Proper and improper chiral magnetic interactions
Atomistic spin models are of great value for predicting and understanding the magnetic
properties of real materials, and extensions of the existing models open routes to new …
properties of real materials, and extensions of the existing models open routes to new …
Exchange interactions in iron and nickel: study in paramagnetic phase
We analyze possible ways to calculate magnetic exchange interactions within the density
functional theory plus dynamical mean-field theory (DFT+ DMFT) approach in the …
functional theory plus dynamical mean-field theory (DFT+ DMFT) approach in the …
Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime
We consider an implementation of the adiabatic spin dynamics approach in a tight-binding
description of the electronic structure. The adiabatic approximation for spin degrees of …
description of the electronic structure. The adiabatic approximation for spin degrees of …
Exchange constants for local spin Hamiltonians from tight-binding models
We consider the mapping of tight-binding electronic structure theory to a local spin
Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant …
Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant …
First-principles Dzyaloshinskii–Moriya interaction in a non-collinear framework
We have derived an expression of the Dzyaloshinskii–Moriya interaction (DMI), where all the
three components of the DMI vector can be calculated independently, for a general, non …
three components of the DMI vector can be calculated independently, for a general, non …
Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir (111)
Structurally similar transition metal systems can have widely differing magnetic properties. A
prime example of this is found for bilayers on Ir (111), where the Pd/Fe/Ir (111) ground state …
prime example of this is found for bilayers on Ir (111), where the Pd/Fe/Ir (111) ground state …
Reliability and applicability of magnetic-force linear response theory: Numerical parameters, predictability, and orbital resolution
We investigated the reliability and applicability of so-called magnetic-force linear response
methods to calculate spin-spin interaction strengths from first principles. We examined the …
methods to calculate spin-spin interaction strengths from first principles. We examined the …