First-principles analysis of the structural, electronic, and elastic properties of cubic organic–inorganic perovskite HC(NH2)2PbI3<xref rid="cpb_26_10_106301_fn1" ref-type="fn">*</xref><fn id="cpb_26_10_106301_fn1"><label>*</label>Project supported by the National Natural Science Foundation of China (Grant No. 51572219), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2015JM1018), the Graduate Innovation Fund of Northwest University of China (Grant No. YJG15007), the Henan Provincial Foundation and Frontier Technology Research Program, China (Grant Nos. 2013JCYJ12 and 2013JCYJ13), the Fund from Henan University of Technology, China (Grant No. 2014YWQN08), and the Natural Science Fund from the Henan Provincial Education Department, China (Grant No. 16A140027).</fn>

First-principles analysis of the structural, electronic, and elastic properties of cubic organic–inorganic perovskite HC(NH₂)₂PbI₃**

Project supported by the National Natural Science Foundation of China (Grant No. 51572219), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2015JM1018), the Graduate Innovation Fund of Northwest University of China (Grant No. YJG15007), the Henan Provincial Foundation and Frontier Technology Research Program, China (Grant Nos. 2013JCYJ12 and 2013JCYJ13), the Fund from Henan University of Technology, China (Grant No. 2014YWQN08), and the Natural Science Fund from the Henan Provincial Education Department, China (Grant No. 16A140027).

Wang Jun-Fei^†, Fu Xiao-Nan, Wang Jun-Tao

Calculated band structures of (a) cubic FAPbI₃ and (b) tetragonal MAPbI₃ between high symmetry points.