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

Table 2. Calculated and reference values (Gpa) of elastic constants.

α-Er β-ErH2 γ-ErH3 No He He-tetra He-octa No He He-tetra He-octa No He He-tetra He-octa C11 83.53 78.14 78.80 145.48 117.02 129.29 196.33 186.74 180.03 (86.15) (142.3) C12 24.06 24.36 24.04 61.09 73.60 64.51 56.59 63.39 57.56 (23.86) (64.1) C13 25.51 (28.37) 25.88 25.42 21.27 23.26 26.81 C14 1.34 0.45 1.12 C33 87.78 85.19 85.49 171.99 169.32 172.45 (91.28) C44 27.92 27.69 27.94 74.37 66.20 67.83 41.79 33.41 32.41 (24.13) (75.0)