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...
| 出版年: | PHYSICA B-CONDENSED MATTER |
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| 主要な著者: | , , , , |
| フォーマット: | 論文 |
| 言語: | English |
| 出版事項: |
ELSEVIER
2025
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| 主題: | |
| オンライン･アクセス: | https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001435104800001 |