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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| 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 |