Journal
FERROELECTRICS
Volume 348, Issue -, Pages 584-588Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00150190701196435
Keywords
perovskite structure; disordered configuration; methylammonium; phase transition
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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.
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