Revisiting the effects of spin-orbit coupling and dispersion correction on the structural and electronic properties of APbI3 (A=MA, FA) halide perovskite

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Revisiting the effects of spin-orbit coupling and dispersion correction on the structural and electronic properties of APbI3 (A=MA, FA) halide perovskite

Predicting the energy band gap for FAPbI3 and MAPbI3 halide perovskites using density functional theory (DFT) methods often faces several difficulties and challenges. We investigated the effects of spin-orbit coupling (SOC) and dispersion corrections in DFT calculations on the crystal structure, ele...

书目详细资料
发表在:	PHYSICA B-CONDENSED MATTER
Main Authors:	Li, Wan; Zulkafli, Nur Miza Atikah; Mamat, Mohamad Hafiz; Yaakob, Muhamad Kamil
格式:	文件
语言:	English
出版:	ELSEVIER 2025
主题:	Physics
在线阅读:	https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001435104800001

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