Interatomic Interaction Models for Magnetic Materials: Recent Advances

TS Kostiuchenko, AV Shapeev… - Chinese Physics …, 2024 - iopscience.iop.org
Atomistic modeling is a widely employed theoretical method of computational materials
science. It has found particular utility in the study of magnetic materials. Initially, magnetic …

Thermoelectricity in transition metal compounds: the role of spin disorder

P Gorai, ES Toberer, V Stevanović - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
At room temperature and above, most magnetic materials adopt a spin-disordered
(paramagnetic) state whose electronic properties can differ significantly from their low …

[HTML][HTML] Spin-lattice dynamics simulation of the Einstein–de Haas effect

W Dednam, C Sabater, AE Botha, EB Lombardi… - Computational Materials …, 2022 - Elsevier
The spin and lattice dynamics of a ferromagnetic nanoparticle are studied via molecular
dynamics and with semi-classical spin dynamics simulations where spin and lattice degrees …

Refined electron-spin transport model for single-element ferromagnetic systems: Application to nickel nanocontacts

W Dednam, C Sabater, O Tal, JJ Palacios, AE Botha… - Physical Review B, 2020 - APS
Through a combination of atomistic spin-lattice dynamics simulations and relativistic ab initio
calculations of electronic transport we shed light on unexplained electrical measurements in …

Simulation of the Einstein-de Haas effect combining molecular and spin dynamics

W Dednam, C Sabater, AE Botha, EB Lombardi… - arxiv preprint arxiv …, 2022 - arxiv.org
The spin and lattice dynamics of a ferromagnetic nanoparticle are studied via molecular
dynamics and with semi-classical spin dynamics simulations where spin and lattice degrees …