First-principles calculations to investigate structural, elastic, electronic and thermodynamic properties of NbCoSn and VRhSn Half-Heusler compounds

In this study, we investigated the structural, elastic, electronic, and thermodynamic properties of NbCoSn and VRhSn HH compounds using the first-principles calculations as implemented in the density functional theory (DFT). The computed lattice constants of NbCoSn and VRhSn compounds were found to...

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Bibliographic Details
Main Authors: Job W. Wafula, John W. Makokha, George S. Manyali
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Results in Physics
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S221137972200746X