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Ferromagnetic Half-Metal Cyanamides Cr(NCN)(2) Predicted from First Principles Investigation
The stability, physical properties, and electronic structures of Cr(NCN)(2) were studied using density functional theory with explicit electronic correlation (GGA+U). The calculated results indicate that Cr(NCN)(2) is a ferromagnetic and half-metal, both thermodynamically and elastically stable. A c...
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| 出版年: | Materials (Basel) |
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| 主要な著者: | , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
MDPI
2020
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7216073/ https://ncbi.nlm.nih.gov/pubmed/32290419 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma13081805 |
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