DFT Investigation of the Structural, Electronic, and Optical Properties of AsTi (B<i><sub>i</sub></i>)-Phase ZnO under Pressure for Optoelectronic Applications

DFT Investigation of the Structural, Electronic, and Optical Properties of AsTi (B<i><sub>i</sub></i>)-Phase ZnO under Pressure for Optoelectronic Applications

Pressure-induced phases of ZnO have attracted considerable attention owing to their excellent electronic and optical properties. This study provides a vital insight into the electronic structure, optical characteristics, and structural properties of the AsTi (B<i><sub>i</sub></i...

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Bibliographic Details
Main Authors: Muhammad Adnan, Qingbo Wang, Najamuddin Sohu, Shiyu Du, Heming He, Zhenbo Peng, Zhen Liu, Xiaohong Zhang, Chengying Bai
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Materials
Subjects:
B<i><sub>i</sub></i>-phase ZnO
first-principles method
B3LYP
optoelectronic properties
Online Access:https://www.mdpi.com/1996-1944/16/21/6981

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https://www.mdpi.com/1996-1944/16/21/6981

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