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Journal of Electronic Materials
Erschienen in: Journal of Electronic Materials 6/2023

13.04.2023 | Original Research Article

Energy Bandgap of Cd1−xZnxTe, Cd1−xZnxSe and Cd1−xZnxS Semiconductors: A First-Principles Analysis Based on Tran–Blaha–Modified Becke–Johnson Exchange Potential

verfasst von: K. Mimouni, N. Mokdad, K. Beladjal, A. Kadri, K. Zitouni

Erschienen in: Journal of Electronic Materials | Ausgabe 6/2023

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Abstract

This paper presents a first-principles investigation of the energy bandgaps of Cd1−xZnxTe, Cd1−xZnxSe and Cd1−xZnxS semiconductor alloys in zinc-blende crystals. The theoretical analysis is based on the full-potential linearized augmented plane wave method within both generalized gradient and local density approximations. Tran–Blaha-modified Becke–Johnson exchange potential was invoked to accurately provide bandgaps and their bowing parameters. A moderate nonlinear dependence with average bowing parameters around b ~ 0.49 eV for Cd1−xZnxTe, b ~ 0.68 eV Cd1−xZnxS, and b ~ 0.63 eV for Cd1−xZnxSe was found. The origin of the nonlinearity is discussed in light of Zunger’s approach to conclude that it arises mainly from volume deformation.
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Metadaten
Titel
Energy Bandgap of Cd1−xZnxTe, Cd1−xZnxSe and Cd1−xZnxS Semiconductors: A First-Principles Analysis Based on Tran–Blaha–Modified Becke–Johnson Exchange Potential
verfasst von
K. Mimouni
N. Mokdad
K. Beladjal
A. Kadri
K. Zitouni
Publikationsdatum
13.04.2023
Verlag
Springer US
Erschienen in
Journal of Electronic Materials / Ausgabe 6/2023
Print ISSN: 0361-5235
Elektronische ISSN: 1543-186X
DOI
https://doi.org/10.1007/s11664-023-10357-2

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