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...

書誌詳細
出版年:	PHYSICA B-CONDENSED MATTER
主要な著者:	Li, Wan; Zulkafli, Nur Miza Atikah; Mamat, Mohamad Hafiz; Yaakob, Muhamad Kamil
フォーマット:	論文
言語:	English
出版事項:	ELSEVIER 2025
主題:	Physics
オンライン･アクセス:	https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001435104800001

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