First-Principles Study of Bi-Doping Effects in Hg<sub>0.75</sub>Cd<sub>0.25</sub>Te

First-Principles Study of Bi-Doping Effects in Hg<sub>0.75</sub>Cd<sub>0.25</sub>Te

First-principles calculations based on density functional theory have been performed for exploring the structural and electronic properties of Bi-doped Hg<sub>0.75</sub>Cd<sub>0.25</sub>Te (MCT), using the state-of-the-art computational method with the Heyd–Scuseria–Ernzerhof...

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Bibliographic Details
Main Authors:	Xueli Sun, Xuejun Su, Dechun Li, Lihua Cao
Format:	Article
Language:	English
Published:	MDPI AG 2021-08-01
Series:	Molecules
Subjects:	first-principles Hg<sub>0.75</sub>Cd<sub>0.25</sub>Te Bi doping electronic structures
Online Access:	https://www.mdpi.com/1420-3049/26/16/4847

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