Structural, electronic, optical and elastic properties of Mg3TH7 (T=Mn, Tc and Re) complex hydrides: First-principles calculations

Structural, electronic, optical and elastic properties of Mg3TH7 (T=Mn, Tc and Re) complex hydrides: First-principles calculations

The structural, electronic, optical and elastic properties of Mg3TH7 (T=Mn, Tc, Re) complex hydrides have been investigated by using the density functional theory ‘DFT’ within the generalized gradient approximation ‘GGA’ parameterized by the Perdew, Burke and Ernzerhof ‘PBE’. The optimized lattice c...

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Bibliographic Details
Main Authors: K. Benyelloul, Y. Bouhadda, M. Bououdina, N. Fenineche, H. Aourag, H. Faraoun
Format: Article
Language:English
Published: Renewable Energy Development Center (CDER) 2015-12-01
Series:Revue des Énergies Renouvelables
Subjects:
complex hydrides
elastic properties
electronic structure
optical properties
first-principles calculations
Online Access:https://revue.cder.dz/index.php/rer/article/view/534

Internet

https://revue.cder.dz/index.php/rer/article/view/534

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