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Band structure engineering of NiS(2) monolayer by transition metal doping

By using density functional theory calculations, we have studied the effects of V-, Cr-, Mn-, Fe- and Co-doped on the electronic and magnetic properties of the 1T-NiS(2) monolayer. The results show that pure 1T-NiS(2) monolayer is a non-magnetic semiconductor. Whereas depending on the species of tra...

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Detalles Bibliográficos
Autores principales:	Khalatbari, H., Vishkayi, S. Izadi, Oskouian, M., Soleimani, H. Rahimpour
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7952594/ https://www.ncbi.nlm.nih.gov/pubmed/33707513 http://dx.doi.org/10.1038/s41598-021-84967-3

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