Group-IV (Si, Ge, and Sn)-doped AgAlTe2 for intermediate band solar cell from first-principles study. (11th May 2017)

• Record Type: Journal Article
• Authors: Huang, Dan; Jiang, Jing-Wen; Guo, Jin; Zhao, Yu-Jun; Chen, Rongzhen; Persson, Clas
• Is Part Of: Semiconductor science and technology. Volume 32:Number 6(2017:Jun.)
• Publication Date: 2017-05-11
• Subjects: intermediate band solar cell -- first-principles calculation -- electronic structure -- defect formation energy -- AgAlTe2; Semiconductors -- Periodicals; 621.38152
• DOI: 10.1088/1361-6641/aa67d7
• Languages: English
• ISSNs: 0268-1242

Abstract

Abstract: Earlier studies of chalcopyrites as the absorber for intermediate band solar cells (IBSCs) mainly focused on Cu-based compounds, whose intermediate band is usually empty due to its intrinsic p -type conductivity. This is not beneficial to the two sub-bandgap absorptions. In this paper, we demonstrate that the intermediate bands in group IV (Si, Ge, and Sn) doped AgAlTe2 are delocalized and mainly contributed by the anti-bonding state of group-IV elements s state and Te- p state. Overall, we suggest that Sn-doped AgAlTe2 should be a promising absorber candidate for IBSCs based on the theoretical efficiency and defect stability.