Ab initio study of the effects of helium on the mechanical properties of different erbium hydrides
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Ab initio study of the effects of helium on the mechanical properties of different erbium hydrides |
| Mingwen Zhang,Li Li,Zhezhen Zhao,Jinlan Nie,Xiaotao Zu,Hongxiang Deng |
| Figure 3. Density of states diagram of ErH2. (a) The total density of states (TDOS) of ErH2 and the (density of states (DOS) of the d orbital of Er and the s orbital of H, (b) TDOS of pure ErH2, ErH2 with He in the octahedral site, and the tetrahedral site. (c) TDOS of ErH2 with He in the T site and the DOS of the d orbital of Er and the s orbital of H. (c) TDOS of ErH2 with He in the O site and the DOS of the d orbital of Er and the s orbital of H. |
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