Download or read book First principles Hybrid Functional Study of the Electronic Structure and Charge Carrier Mobility in Perovskite CH3NH3SnI3 Project 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 and the New Century Excellent Talents in University China Grant No NCET 12 0171 D written by and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: We calculate the electronic properties and carrier mobility of perovskite CH3 NH3 SnI3 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 4 cm 2 ·V −1 ·s −1 along the y direction. In view of the huge difference between hole and electron mobilities, the perovskite CH3 NH3 SnI3 can 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.