Ab-Initio Study of Magnetically Intercalated Platinum Diselenide: The Impact of Platinum Vacancies
We study the magnetic properties of platinum diselenide (PtSe<sub>2</sub>) 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 <inline-fo...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-07-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/14/15/4167 |