論文

査読有り
2019年10月

Theoretical study on electronic and optical properties of mixed valence perovskite Cs2Au2X6 (X = Cl, Br, I)

Japanese Journal of Applied Physics
  • 鈴木, 修吾
  • ,
  • 津山, 真琴

58
11
開始ページ
111002-1
終了ページ
111002-6
記述言語
日本語
掲載種別
研究論文(学術雑誌)
DOI
10.7567/1347-4065/ab4a3c
出版者・発行元
IOP PUBLISHING LTD

We study the electronic and optical properties of the mixed valence perovskite Cs2Au2X6 (X = Cl, Br, I) using the fully relativistic all-electron calculations. We find that Cs2Au2X6 exhibits indirect fundamental band gaps although the differences between the indirect and direct band gaps are small. For the electric field of light perpendicular to the tetragonal c axis, Cs2Au2Br6 and Cs2Au2I6 exhibit the maximum absorption coefficient of about 20 x 10(4) cm(-1) around the photon energy of 2 eV, which is considerably larger than that of CH3NH3PbI3. For the electric field of light parallel to the tetragonal c axis, the absorption coefficient of Cs2Au2I6 is comparable to that of CH3NH3PbI3 in the main part of the solar spectrum. Furthermore, we estimate the photovoltaic performance of Cs2Au2X6 employing the spectroscopically limited maximum efficiency as a metric and discuss its dependence on the film thicknes in detail. (C) 2019 The Japan Society of Applied Physics

リンク情報
DOI
https://doi.org/10.7567/1347-4065/ab4a3c

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