A DFT and Time-dependent DFT Investigation of the Structural, Electronic and Optical Properties of Lead-free FAMgI3 Perovskite for Photovoltaic Applications

被引：0
作者：
Youssef El Arfaoui
Mohammed Khenfouch
Nabil Habiballah
机构：
[1] Ibn Zohr University,Theoretical Physics and High Energy Laboratory (LPTHE), Department of Physics, Faculty of Science
[2] Ibn Zohr University,Materials, Electrical Systems, Energy and Environment Laboratory (LMS3E), Materials and Energy Engineering Group, Department of Applied Physics, Faculty of Applied Sciences, Ait Melloul
来源：
Journal of Electronic Materials | 2024年 / 53卷
关键词：
DFT method; band gap; lead-free perovskite; band structure; SOC correction; TDDFT;
D O I：
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中图分类号：
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页码：881 / 890
页数：9
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