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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Bibliographic Details
Main Author: Said Boucetta
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2018-03-01
Series:Journal of Magnesium and Alloys
Online Access:http://www.sciencedirect.com/science/article/pii/S2213956718300094

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