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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 (HSE) of hybrid functio...

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Gorde:
Egile Nagusiak: Xueli Sun, Xuejun Su, Dechun Li, Lihua Cao
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: MDPI AG 2021-08-01
Saila:Molecules
Gaiak:
first-principles
Hg<sub>0.75</sub>Cd<sub>0.25</sub>Te
Bi doping
electronic structures
Sarrera elektronikoa:https://www.mdpi.com/1420-3049/26/16/4847
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