Mechanical Origin of the Structural Phase Transition in Methylammonium Lead Iodide CH3NH3PbI3

• Main Authors: Ong, Khuong P., Goh, Teck Wee, Xu, Qiang, Huan, Alfred
• 其他作者: School of Physical and Mathematical Sciences
• 格式: Article
• 語言: English
• 出版: 2016
• 主題: Phase Transitions; Solar cell; Density Functional Theory; Hybrid Perovskites
• 在線閱讀: https://hdl.handle.net/10356/82009; http://hdl.handle.net/10220/41063

The methylammonium lead iodide perovskite (MAPbI3) is presently a desirable material for photovoltaic application. Its structure is orthorhombic at low temperature and tetragonal at room temperature. Most theoretical works have focused on either tetragonal or orthorhombic phase alone leaving a gap i...