Abstract
In order to understand the mechanism of the structural phase transition in CH3NH3PbBr3, neutron diffraction data from the single crystal is analyzed by the least-squares method and the maximum entropy method. The disordered configuration of a methylammonium ion in a cage surrounded by eight PbBr6 octahedrons is identified unambiguously. With comparing the low-temperature structure, the transition is characterized by the condensation of the rotational motion of the PbBr6 octahedron around the Pb-Br axis, which accompanies the partial ordering of the methylammonium ion to reduce the site symmetry.
Original language | English |
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Pages (from-to) | 182-186 |
Number of pages | 5 |
Journal | Ferroelectrics |
Volume | 348 |
DOIs | |
Publication status | Published - 2007 |
Event | 8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8 - Tsukuba, Japan Duration: 2006 May 15 → 2006 May 19 |
Keywords
- Disordered configuration
- Methylammonium
- Perovskite structure
- Phase transition
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics