Ferromagnetic Half-Metal Cyanamides Cr(NCN)<sub>2</sub> Predicted from First Principles Investigation
The stability, physical properties, and electronic structures of Cr(NCN)<sub>2</sub> were studied using density functional theory with explicit electronic correlation (GGA+<i>U</i>). The calculated results indicate that Cr(NCN)<sub>2</sub> is a ferromagnetic and h...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-04-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/13/8/1805 |