In:
Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 62, No. 11 ( 2013), p. 116201-
Abstract:
The elastic properties of hexagonal phase ErAx (A=H, He) have been calculated by the first-principles method, where x=0, 0.0313, 0.125, 0.25. Effects of different concentrations of hydrogen and helium on the elastic properties of ErAx systems have been investigated in detail. Results show that the elastic constants, Young's modulus, bulk modulus and shear modulus of ErHx systems increase mainly with increasing hydrogen concentration, whereas, those elastic properties of ErHex systems almost decrease with increasing helium concentration. We have investigated the changes in the charge densities of Er atoms produced by A atoms. It was found that the mechanism for the change of the elastic properties of hexagonal phase ErHx with increasing hydrogen atoms is different from that of ErHex with increasing helium atoms.
Type of Medium:
Online Resource
ISSN:
1000-3290
,
1000-3290
DOI:
10.7498/aps.62.116201
Language:
Unknown
Publisher:
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Publication Date:
2013