Phase stability, elastic properties and electronic structures of Mg–Y intermetallics from first-principles calculations
The phase stability, elastic properties and electronic structures of three typical Mg–Y intermetallics including Mg24Y5, Mg2Y and MgY are systematically investigated using first-principles calculations based on density functional theory. The optimized structural parameters including lattice constant...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co., Ltd.
2015-06-01
|
| Series: | Journal of Magnesium and Alloys |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2213956715000353 |