On the geometric and magnetic properties of the monomer, dimer and trimer of NiFe2O4

José Burgos; Luis Seijas; Pedro Contreras; Rafael Almeida

doi:10.3233/JCM-160657

On the geometric and magnetic properties of the monomer, dimer and trimer of NiFe₂O₄

José Burgos
, Luis Seijas
, Pedro Contreras
, Rafael Almeida

Producción científica: Contribución a revista › Artículo de Investigación › revisión exhaustiva

Resumen

In this work, by employing Density Functional Theory, we compute and discuss some geometric and magnetic properties of the monomer, dimer and trimer of NiFe₂O₄. The calculations are performed at the UDFT/ B3LYP level of calculation, by employing the LANL2DZ effective pseudo potential. The results of the Mulliken spin densities and the spin polarization will be presented. Finally the outcome of the system density of states is considered.

Idioma original	Inglés estadounidense
Páginas (desde-hasta)	19-28
Número de páginas	10
Publicación	Journal of Computational Methods in Sciences and Engineering
Volumen	17
N.º	1
DOI	https://doi.org/10.3233/JCM-160657
Estado	Publicada - 2017
Publicado de forma externa	Sí

ODS de las Naciones Unidas

Este resultado contribuye a los siguientes Objetivos de Desarrollo Sostenible

ODS 1: Fin de la pobreza

Áreas temáticas de ASJC Scopus

Ingeniería General
Informática aplicada
Matemática computacional

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10.3233/JCM-160657

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