Indirect-to-direct band gap transition and optical properties of Cs2BiAgX6 with mechanical strains: the density functional theory investigation

The last research of Cs2BiAgX6 (X = Cl, Br) exhibiting a desired band gap in the visible imply that the compounds maybe as a potential candidate for CH3NH3PbI3. However, both the band gaps of Cs2BiAgCl6 and Cs2BiAgBr6 are indirect, which means the optical properties will be limit. Hence, it is a cri...

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Bibliographic Details
Main Authors: Xiao Zhang, Yuanyuan Lv, Yuzhuo Lv, Yanbing Liu, Zhenqing Yang
Format: Article
Language:English
Published: Elsevier 2022-03-01
Series:Journal of Materials Research and Technology
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785421015817