Calculation of Mechanical Properties, Electronic Structure and Optical Properties of CsPbX<sub>3</sub> (X = F, Cl, Br, I)

Calculation of Mechanical Properties, Electronic Structure and Optical Properties of CsPbX<sub>3</sub> (X = F, Cl, Br, I)

We utilized a first-principle density functional theory for a comprehensive analysis of CsPbX<sub>3</sub> (X = F, Cl, Br, I) to explore its physical and chemical properties, including its mechanical behavior, electronic structure and optical properties. Calculations show that all four ma...

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Bibliographic Details
Main Authors: Yang Liu, Canxiang Fang, Shihe Lin, Gaihui Liu, Bohang Zhang, Huihui Shi, Nan Dong, Nengxun Yang, Fuchun Zhang, Xiang Guo, Xinghui Liu
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Molecules
Subjects:
first principles
CsPbX<sub>3</sub> (X = F
Cl
Br
I)
mechanical properties
Online Access:https://www.mdpi.com/1420-3049/28/22/7643

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