First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH3NH3SnI3

We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3 as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and hole mobilities have anisotropies with a large magnitude of 1.4 × 104cm2·V-1·s-1 along the y directio...

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Published in中国物理B:英文版 no. 10; pp. 355 - 361
Main Author 伍丽娟 赵宇清 陈畅文 王琳芝 刘标 蔡孟秋
Format Journal Article
LanguageEnglish
Published 01.10.2016
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ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/25/10/107202

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Summary:We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3 as a solar cell absorber by using the hybrid functional method. The calculated result shows that the electron and hole mobilities have anisotropies with a large magnitude of 1.4 × 104cm2·V-1·s-1 along the y direction. In view of the huge difference between hole and electron mobilities, the perovskite CH3NH3 Sn I3can be considered as a p-type semiconductor. We also discover a relationship between the effective mass anisotropy and electronic occupation anisotropy. The above results can provide reliable guidance for its experimental applications in electronics and optoelectronics.
Bibliography:Li-Juan Wu;Yu-Qing Zhao;Chang-Wen Chen;Lin-Zhi Wang;Biao Liu;Meng-Qiu Cai;School of Physics and Electronics Science, Hunan University;Yali Middle School
11-5639/O4
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/25/10/107202