Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1811113 | Physica B: Condensed Matter | 2011 | 4 Pages |
Abstract
The elastic properties of MBH4 (M=Na, K, Rb, Cs) are studied by first-principles calculations using a projected augmented plane-wave method and finite strain method. KBH4 is found to be the most isotropic material among MBH4, which can be attributed to the contribution of C44. The Debye temperatures are also calculated using theoretical elastic constants and the change along the series is explained.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Xiao-Dong Zhang, Zhu-Feng Hou, Zhen-Yi Jiang, Yu-Qing Hou,