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An ab-initio study of P-type ZrCoY (Y[bond, double bond]Sb and Bi) half – Heusler semiconductors
In this study, the structural, electronic, mechanical, optical, and thermoelectric properties of the cubic half-Heusler compound ZrCoY(Y[bond, double bond]Sb and Bi) obtained using first-principles calculations are presented. The following exchange-correlation functionals have been employed: General...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10404955/ https://www.ncbi.nlm.nih.gov/pubmed/37554828 http://dx.doi.org/10.1016/j.heliyon.2023.e18531 |