Optimizing configurations for determining the magnetic model based on ab-initio calculations

In this paper, it is presented a novel strategy to optimize the determination of magnetic couplings by using ab initio calculations of the energy. This approach allows determining efficiently, in terms of a proposed effective magnetic spin model, an optimal set of magnetic configurations to be simul...

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Detalles Bibliográficos
Autores principales: Matera, Juan Mauricio, Errico, Leonardo A., Gil Rebaza, Arles Víctor, Fernández, Victoria Inés, Lamas, Carlos Alberto
Formato: Articulo Preprint
Lenguaje:Inglés
Publicado: 2020
Materias:
Física
Quantum magnetism
Correlated electrons
Material science
Ab-initio calculations
DFT
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/124367
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata

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