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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3 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

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Cations
Energy gap
Positive ions
Electronic structure
Metals
Chemical analysis

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

Cite this

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

Impacts of cation ordering on bandgap dispersion of double perovskites. / Kim, Jongseob; Kim, Hyungjun; Chandran, Mahesh; Lee, Seung Cheol; Im, Sang Hyuk; Hong, Ki Ha.

In: APL Materials, Vol. 6, No. 8, 084903, 01.08.2018.

Research output: Contribution to journalArticle

Kim, J, Kim, H, Chandran, M, Lee, SC, Im, SH & Hong, KH 2018, 'Impacts of cation ordering on bandgap dispersion of double perovskites', APL Materials, vol. 6, no. 8, 084903. https://doi.org/10.1063/1.5027230
Kim, Jongseob ; Kim, Hyungjun ; Chandran, Mahesh ; Lee, Seung Cheol ; Im, Sang Hyuk ; Hong, Ki Ha. / Impacts of cation ordering on bandgap dispersion of double perovskites. In: APL Materials. 2018 ; Vol. 6, No. 8.
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