DFT exploration of p-type conductivity and fully visible light transparency in chalcopyrite AgMCh <sub>2</sub> (M = Al and Ga; Ch = S, Se, and Te)
Panel (a): atomic orbital energies of group VI A elements. Panel (b): VB composition of M–Ch mixed state. Panel (c): VBM position relative to vacuum level. Panel (d): bandgap for AgMCh 2 . Panel (e): formation energies for main native defects in AgAlS 2 .
Authors
- Jiayuan Wang (ORCID: https://orcid.org/0009-0007-2640-0482)
- Shuaiwei Fan
- Guoying Gao
- Yuhang Deng
Institutions
- China Three Gorges University (CN)
- Huazhong University of Science and Technology (CN)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-12-23
- DOI
- https://doi.org/10.1039/d5tc04239a
- Primary Topic
- Chalcogenide Semiconductor Thin Films
- Type
- article
- Field-Weighted Citation Impact
- 0.00