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First-principles investigation on structural, electronic, and optical properties of (Cd1-xZnx)3As2

This work focus on the investigation of the structural, electronic properties, and optical properties of the alloy (Cd1-xZnx)3As2 using first-principles. The first-principles, couple with the special quasi-random structure (SQS) method, are used to predict the stable structure of the variable bandga...

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Autors principals: Yu Deng, Xun Ge, Rongxiu Feng, Yunye Liang, Xiaohao Zhou
Format: Artigo
Idioma:Inglês
Publicat: Elsevier 2025-01-01
Col·lecció:Next Materials
Matèries:
(Cd1-xZnx)3As2
First-principles
Special quasi-random structure
Electronic properties
Optical properties
Accés en línia:http://www.sciencedirect.com/science/article/pii/S294982282400217X
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