Disordered Configuration of Methylammonium of CH_3NH_3PbBr_3 Determined by Single Crystal Neutron Diffractometry
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概要
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In order to understand the mechanism of the structural phase transition in CH_3NH_3PbBr_3, 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 PbBr_6 octahedrons is identified unambiguously. With comparing the low-temperature structure, the transition is characterized by the condensation of the rotational motion of the PbBr_6 octahedron around the Pb-Br axis, which accompanies the partial ordering of the methylammonium ion to reduce the site symmetry.
- Taylor and Francisの論文
Taylor and Francis | 論文
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