Impacts of cation ordering on bandgap dispersion of double perovskites

Jongseob Kim, Hyungjun Kim, Mahesh Chandran, Seung Cheol Lee, Sang Hyuk Im, Ki Ha Hong

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5 Citations (Scopus)

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.

Original languageEnglish
Article number084903
JournalAPL Materials
Volume6
Issue number8
DOIs
Publication statusPublished - 2018 Aug 1

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

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    Kim, J., Kim, H., Chandran, M., Lee, S. C., Im, S. H., & Hong, K. H. (2018). Impacts of cation ordering on bandgap dispersion of double perovskites. APL Materials, 6(8), [084903]. https://doi.org/10.1063/1.5027230