Structural and elastic properties of Mg3CuH0.6 ternary hydride by ab initio study

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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