Ground state parameters, electronic properties and elastic constants of CaMg3: DFT study

Ground state parameters, electronic properties and elastic constants of CaMg3: DFT study

The present study aims to investigate the equation of state (EOS) parameters of CaMg3 in αReO3 (D09), AlFe3 (D03), Cu3Au (L12) and CuTi3 (L60) structures, using full potential linear muffin-tin orbitals (FP-LMTO) approach based on the density functional theory (DFT). The local density approximation...

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Bibliographic Details
Main Authors: H. Rekab-Djabri, Manal M. Abdus Salam, S. Daoud, M. Drief, Y. Guermit, S. Louhibi-Fasla
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2020-12-01
Series:Journal of Magnesium and Alloys
Subjects:
CaMg3 compound
Electronic properties
Phase transition
Elastic constants
FP-LMTO
Online Access:http://www.sciencedirect.com/science/article/pii/S2213956720301158

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http://www.sciencedirect.com/science/article/pii/S2213956720301158

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