Structural and elastic properties of Mg3CuH0.6 ternary hydride by ab initio study
In the present work, we investigate the structural and elastic properties of a new intermetallic hydride compound Mg3CuH0.6. The theoretical study has been carried out based on density functional theory (DFT), within local density approximation (LDA) and generalized gradient approximation (GGA). The...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co., Ltd.
2018-03-01
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| Series: | Journal of Magnesium and Alloys |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2213956718300094 |