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 4. Density of states diagram of ErH3 (a) TDOS of ErH3 and the DOS of the d orbital of Er and the s orbital of H, (b) TDOS of pure ErH3, ErH3 with He in the octahedral site and the tetrahedral site. (c) TDOS of ErH3 with He in the T site and the DOS of the d orbital of Er and the s orbital of H. (c) TDOS of ErH3 with He in the O site and the DOS of the d orbital of Er and the s orbital of H.