Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3

作者：Yukihiko Kawamura, Hiroyuki Mashiyama, K. Hasebe · 发表于：Journal of the Physical Society of Japan · 年份：2002 · DOI：10.1143/jpsj.71.1694 · 被引用次数：511 · 研究领域：Solid-state spectroscopy and crystallography、Acoustic Wave Resonator Technologies、Nonlinear Optical Materials Research

The cubic–tetragonal phase transition of CH 3 NH 3 PbI 3 was investigated by single crystal X-ray diffractometry. The crystal structure was refined at five temperatures in the teragonal phase. The PbI 6 octahedron rorates around the c -axis alternatively to construct the SrTiO 3 -type tetragonal structure. A methylammonium ion is partially orderd; 24 disordered states in the cubic phase are reduced to 8. With decreasing temperature, the rotation angle of the octahedron increases monotonically, which indicates it is an order parameter of the cubic-tetragonal transition.