Theoretical study on order–disorder phase transition of CH3NH3PbCl3 Project supported by the National Natural Science Foundation of China (Grant Nos. 51572219, 51872227, 11204239, and 11447030), the Project of Natural Science Foundation of Shaanxi Province of China (Grant Nos. 2015JM1018, 2013JQ1018, 15JK1759, and 15JK1714), and the Science Foundation of Northwest University of China (Grant No. 12NW06). |
Energy barrier of 24 space configurations (relative to original cubic structure) with hydrogen atoms in staggered state. |
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