Disordered Configuration of Methylammonium of CH3NH3PbBr3Determined by Single Crystal Neutron Diffractometry

Autor:	Hiroyuki Mashiyama, Hironobu Kasano, Yukihiko Kawamura, Takanao Asahi, Hisamichi Kimura, Yukio Noda
Rok vydání:	2007
Předmět:	Phase transition Crystallography Materials science Octahedron Neutron diffraction Condensation Rotation around a fixed axis Neutron Condensed Matter Physics Single crystal Symmetry (physics) Electronic Optical and Magnetic Materials
Zdroj:	Ferroelectrics. 348:182-186
ISSN:	1563-5112 0015-0193
DOI:	10.1080/00150190701196435
Popis:	In order to understand the mechanism of the structural phase transition in CH 3 NH 3 PbBr 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.
Databáze:	OpenAIRE
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