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Electronic structure of the PrNiBi half-Heusler system based on the σGGA + U method

In this works, we study the electronic structure and magnetic properties of the Pr-Ni-Bi half-Heusler systems based on density functional theory. We use the σ GGA + U scheme to consider the effects of on-site electron-electron interactions. Results show that in contrast to the rough estimation of th...

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Detalles Bibliográficos
Autores principales: Mikaeilzadeh, L., Tavana, A., Khoeini, F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6934805/
https://www.ncbi.nlm.nih.gov/pubmed/31882907
http://dx.doi.org/10.1038/s41598-019-56537-1