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First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH_3NH_3SnI_3 被引量:1

First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH_3NH_3SnI_3
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摘要 We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3as 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-1along 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. We calculate the electronic properties and carrier mobility of perovskite CH_3NH_3SnI_3 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 × 10~4cm^2·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.
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第10期355-361,共7页 中国物理B(英文版)
基金 supported by the National Natural Science Foundation of China(Grant No.51172067) the Hunan Provincial Natural Science Fund for Distinguished Young Scholars,China(Grant No.13JJ1013) the Specialized Research Fund for the Doctoral Program of Higher Education,China(Grant No.20130161110036) the New Century Excellent Talents in University,China(Grant No.NCET-12-0171.D)
关键词 charge carrier mobility nontoxic perovskite solar cell absorber HSE06 calculations effective masses anisotropy charge carrier mobility nontoxic perovskite solar cell absorber HSE06 calculations effective masses anisotropy
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