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An ab-initio study of P-type ZrCoY (Y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Sb and Bi) obtained using first-principles calculations are presented. The following exchange-correlation functionals have been employed: Generalized Gradient Appr...

Ausführliche Beschreibung

Gespeichert in:
Hauptverfasser: Lynet Allan, Winfred M. Mulwa, Julius M. Mwabora, Robinson J. Musembi, R.E. Mapasha
Format: Artigo
Sprache:Inglês
Veröffentlicht: Elsevier 2023-08-01
Schriftenreihe:Heliyon
Schlagworte:
First principles
Electronic
Mechanical
Optical and thermoelectric properties
Half-Heusler alloys
ZrCoY (Y = Sb and Bi)
Online-Zugang:http://www.sciencedirect.com/science/article/pii/S2405844023057390
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