Structural, Electronic, and Optical Properties of CsPb(Br<sub>1−x</sub>Cl<sub>x</sub>)<sub>3</sub> Perovskite: First-Principles Study with PBE–GGA and mBJ–GGA Methods

Structural, Electronic, and Optical Properties of CsPb(Br<sub>1−x</sub>Cl<sub>x</sub>)<sub>3</sub> Perovskite: First-Principles Study with PBE–GGA and mBJ–GGA Methods

The effect of halide composition on the structural, electronic, and optical properties of CsPb(Br<sub>1−x</sub>Cl<sub>x</sub>)<sub>3</sub> perovskite was investigated in this study. When the chloride (Cl) content of x was increased, the unit cell volume decreased...

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Bibliographic Details
Main Authors: Hamid M. Ghaithan, Zeyad. A. Alahmed, Saif M. H. Qaid, Abdullah S. Aldwayyan
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Materials
Subjects:
CsPb(Br<sub>1−x</sub>Cl<sub>x</sub>)<sub>3</sub> perovskite
PBE–GGA and mBJ–GGA
structural properties
electronic properties
optical properties
Online Access:https://www.mdpi.com/1996-1944/13/21/4944

Internet

https://www.mdpi.com/1996-1944/13/21/4944

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