First-principles study of structural stability and elastic properties of MgPd3 and its hydride
Theoretical study of structural stability and elastic properties of α- and β-MgPd3 intermetallic compounds as well as their hydrides have been carried out based on density functional theory. The results indicate α-MgPd3 is more stable than β phase with increased stability in their hydrides. The calc...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co., Ltd.
2014-06-01
|
| Series: | Journal of Magnesium and Alloys |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2213956714000425 |