1. Impacts of cation ordering on bandgap dispersion of double perovskites
- Author
-
Jongseob Kim, Hyungjun Kim, Mahesh Chandran, Seung-Cheol Lee, Sang Hyuk Im, and Ki-Ha Hong
- Subjects
Biotechnology ,TP248.13-248.65 ,Physics ,QC1-999 - Abstract
Double perovskites using dual metal cations are promising candidates for Pb-free perovskites. This study shows that the electronic structures of double perovskites (A2B+B3+X6) can be significantly modulated by cation ordering changes. The bandgap of Cs2AgBiCl6 can be affected by changing octahedron alignments, and even zero gap states can be realized for the 2-dimensional BiCl6 (AgCl6) configuration. It is presented that different types of B+/B3+-site orderings in double perovskites could be the origin of bandgap dispersion. Comparative studies on the various compositions show that, among B+/B3+ cations, Tl/Bi could be promising for the suppression of ordering variation.
- Published
- 2018
- Full Text
- View/download PDF