|
|
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 3. Calculated values (Gpa) for the elastic modulus.
|
|
| α-Er | β-ErH2 | γ-ErH3 |
---|
| No He | He-tetra | He-octa | No He | He-tetra | He-octa | No He | He-tetra | He-octa |
---|
Y | 70.77 | 67.27 | 68.00 | 144.07 | 142.65 | 134.14 | 140.93 | 125.72 | 104.64 | G | 29.07 | 27.47 | 27.86 | 59.24 | 58.35 | 54.32 | 59.12 | 51.18 | 43.49 | B | 41.67 | 40.71 | 40.56 | 84.53 | 84.29 | 84.26 | 76.23 | 77.14 | 58.70 | B/G | 1.43 | 1.48 | 1.46 | 1.43 | 1.44 | 1.55 | 1.28 | 1.50 | 1.34 |
|
|
|