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...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:	PHYSICA B-CONDENSED MATTER
المؤلفون الرئيسيون:	Li, Wan; Zulkafli, Nur Miza Atikah; Mamat, Mohamad Hafiz; Yaakob, Muhamad Kamil
التنسيق:	مقال
اللغة:	English
منشور في:	ELSEVIER 2025
الموضوعات:	Physics
الوصول للمادة أونلاين:	https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001435104800001

مواد مشابهة

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