Perovskites are organic-inorganic compounds with a crystal structure that revolutionize many optoelectronic applications, especially solar cells. The CsPbBr3−xIx, a perovskite, has garnered significant attention due to its tunable band gap and excellent photovoltaic properties. In this theoretical study, the structural, electronic, and optical properties of CsPbBr3−xIx are investigated through density functional theory calculations. The calculations reveal that the substitution of Br with I leads to a significant reduction in the band gap of CsPbBr3−xIx, resulting in improved light absorption properties. The obtained data show that the coexistence of Br and I ions in the structure creates an energy level similar to the shallow energy levels caused by doping at the R symmetry point in the band structure.
Birincil Dil | İngilizce |
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Konular | Metroloji,Uygulamalı ve Endüstriyel Fizik |
Bölüm | Araştırma Makalesi |
Yazarlar | |
Erken Görünüm Tarihi | 1 Aralık 2023 |
Yayımlanma Tarihi | 18 Aralık 2023 |
Gönderilme Tarihi | 26 Mart 2023 |
Kabul Tarihi | 31 Ağustos 2023 |
Yayımlandığı Sayı | Yıl 2023 |
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.