Predicted thermodynamic structural and elastic properties of SrCuP and SrCuSb for thermoelectric applications

Predicted thermodynamic structural and elastic properties of SrCuP and SrCuSb for thermoelectric applications

Abstract The Pseudopotential method coupled with plane waves implemented in the quantum espresso code was used in the prediction of the structural parameters and elastic constants of SrCuX (X = P, Sb) materials. The obtained results of lattice parameters and bulk modulus at equilibrium agree well wi...

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Bibliographic Details
Main Authors: N. Bioud, N. Benchiheub, A. Benamrani, M. A. Ghebouli, M. Fatmi, Faisal Katib Alanazi, R. Yekhlef
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Scientific Reports
Subjects:
Ab-initio calculations
Elastic properties
SrCuX (X = P, Sb) thermoelectric materials
Thermo_pw package
Thermodynamic properties
Online Access:https://doi.org/10.1038/s41598-025-88280-1
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https://doi.org/10.1038/s41598-025-88280-1

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