Disordered configuration of methylammonium of CH3NH 3PbBr3 determined by single crystal neutron diffractometry

H. Mashiyama; Y. Kawamura; H. Kasano; T. Asahi; Y. Noda; H. Kimura

doi:10.1080/00150190701196435

Disordered configuration of methylammonium of CH₃NH ₃PbBr₃ determined by single crystal neutron diffractometry

H. Mashiyama, Y. Kawamura, H. Kasano, T. Asahi, Y. Noda, H. Kimura

Division of Measurements

Research output: Contribution to journal › Conference article › peer-review

29 Citations (Scopus)

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
Pages (from-to)	182-186
Number of pages	5
Journal	Ferroelectrics
Volume	348
DOIs	https://doi.org/10.1080/00150190701196435
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

Access to Document

10.1080/00150190701196435

Cite this

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title = "Disordered configuration of methylammonium of CH3NH 3PbBr3 determined by single crystal neutron diffractometry",

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.",

keywords = "Disordered configuration, Methylammonium, Perovskite structure, Phase transition",

author = "H. Mashiyama and Y. Kawamura and H. Kasano and T. Asahi and Y. Noda and H. Kimura",

year = "2007",

doi = "10.1080/00150190701196435",

language = "English",

volume = "348",

pages = "182--186",

journal = "Ferroelectrics",

issn = "0015-0193",

publisher = "Taylor and Francis Ltd.",

note = "8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8 ; Conference date: 15-05-2006 Through 19-05-2006",

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TY - JOUR

T1 - Disordered configuration of methylammonium of CH3NH 3PbBr3 determined by single crystal neutron diffractometry

AU - Mashiyama, H.

AU - Kawamura, Y.

AU - Kasano, H.

AU - Asahi, T.

AU - Noda, Y.

AU - Kimura, H.

PY - 2007

Y1 - 2007

N2 - 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.

AB - 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.

KW - Disordered configuration

KW - Methylammonium

KW - Perovskite structure

KW - Phase transition

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EP - 186

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JF - Ferroelectrics

SN - 0015-0193

T2 - 8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8

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