Ab-Initio Study of Magnetically Intercalated Platinum Diselenide: The Impact of Platinum Vacancies

We study the magnetic properties of platinum diselenide (PtSe(2)) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in [Formula: see text] obtained from...

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Detalles Bibliográficos
Autores principales: Reyntjens, Peter D., Tiwari, Sabyasachi, Van de Put, Maarten L., Sorée, Bart, Vandenberghe, William G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348902/
https://www.ncbi.nlm.nih.gov/pubmed/34361361
http://dx.doi.org/10.3390/ma14154167

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348902/
https://www.ncbi.nlm.nih.gov/pubmed/34361361
http://dx.doi.org/10.3390/ma14154167

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