Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids

Standard

Polar Nature of (CH₃NH₃)₃Bi₂I₉ Perovskite-Like Hybrids. / Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T.M.

In: Inorganic Chemistry, Vol. 56, No. 1, 03.01.2017, p. 33-41.

Research output: Contribution to journal › Article › peer-review

Harvard

Kamminga, ME, Stroppa, A, Picozzi, S, Chislov, M, Zvereva, IA, Baas, J, Meetsma, A, Blake, GR & Palstra, TTM 2017, 'Polar Nature of (CH₃NH₃)₃Bi₂I₉ Perovskite-Like Hybrids', Inorganic Chemistry, vol. 56, no. 1, pp. 33-41. https://doi.org/10.1021/acs.inorgchem.6b01699

APA

Kamminga, M. E., Stroppa, A., Picozzi, S., Chislov, M., Zvereva, I. A., Baas, J., Meetsma, A., Blake, G. R., & Palstra, T. T. M. (2017). Polar Nature of (CH₃NH₃)₃Bi₂I₉ Perovskite-Like Hybrids. Inorganic Chemistry, 56(1), 33-41. https://doi.org/10.1021/acs.inorgchem.6b01699

Vancouver

Kamminga ME, Stroppa A, Picozzi S, Chislov M, Zvereva IA, Baas J et al. Polar Nature of (CH₃NH₃)₃Bi₂I₉ Perovskite-Like Hybrids. Inorganic Chemistry. 2017 Jan 3;56(1):33-41. https://doi.org/10.1021/acs.inorgchem.6b01699

Author

Kamminga, Machteld E. ; Stroppa, Alessandro ; Picozzi, Silvia ; Chislov, Mikhail ; Zvereva, Irina A. ; Baas, Jacob ; Meetsma, Auke ; Blake, Graeme R. ; Palstra, Thomas T.M. / Polar Nature of (CH₃NH₃)₃Bi₂I₉ Perovskite-Like Hybrids. In: Inorganic Chemistry. 2017 ; Vol. 56, No. 1. pp. 33-41.

BibTeX

@article{cf36b8c1230f415d9ff57b05b8f15391,

title = "Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids",

abstract = "High-quality single crystals of perovskite-like (CH3NH3)3Bi2I9 hybrids have been synthesized, using a layered-solution crystal-growth technique. The large dielectric constant is strongly affected by the polar ordering of its constituents. Progressive dipolar ordering of the methylammonium cation upon cooling below 300 K gradually converts the hexagonal structure (space group P63/mmc) into a monoclinic phase (C2/c) at 160 K. A well-pronounced, ferrielectric phase transition at 143 K is governed by in-plane ordering of the bismuth lone pair that breaks inversion symmetry and results in a polar phase (space group P21). The dielectric constant is markedly higher in the C2/c phase above this transition. Here, the bismuth lone pair is disordered in-plane, allowing the polarizability to be substantially enhanced. Density functional theory calculations estimate a large ferroelectric polarization of 7.94 μC/cm2 along the polar axis in the P21 phase. The calculated polarization has almost equal contributions of the methylammonium and Bi3+ lone pair, which are fairly decoupled.",

author = "Kamminga, {Machteld E.} and Alessandro Stroppa and Silvia Picozzi and Mikhail Chislov and Zvereva, {Irina A.} and Jacob Baas and Auke Meetsma and Blake, {Graeme R.} and Palstra, {Thomas T.M.}",

year = "2017",

month = jan,

day = "3",

doi = "10.1021/acs.inorgchem.6b01699",

language = "English",

volume = "56",

pages = "33--41",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "1",

}

RIS

TY - JOUR

T1 - Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids

AU - Kamminga, Machteld E.

AU - Stroppa, Alessandro

AU - Picozzi, Silvia

AU - Chislov, Mikhail

AU - Zvereva, Irina A.

AU - Baas, Jacob

AU - Meetsma, Auke

AU - Blake, Graeme R.

AU - Palstra, Thomas T.M.

PY - 2017/1/3

Y1 - 2017/1/3

N2 - High-quality single crystals of perovskite-like (CH3NH3)3Bi2I9 hybrids have been synthesized, using a layered-solution crystal-growth technique. The large dielectric constant is strongly affected by the polar ordering of its constituents. Progressive dipolar ordering of the methylammonium cation upon cooling below 300 K gradually converts the hexagonal structure (space group P63/mmc) into a monoclinic phase (C2/c) at 160 K. A well-pronounced, ferrielectric phase transition at 143 K is governed by in-plane ordering of the bismuth lone pair that breaks inversion symmetry and results in a polar phase (space group P21). The dielectric constant is markedly higher in the C2/c phase above this transition. Here, the bismuth lone pair is disordered in-plane, allowing the polarizability to be substantially enhanced. Density functional theory calculations estimate a large ferroelectric polarization of 7.94 μC/cm2 along the polar axis in the P21 phase. The calculated polarization has almost equal contributions of the methylammonium and Bi3+ lone pair, which are fairly decoupled.

AB - High-quality single crystals of perovskite-like (CH3NH3)3Bi2I9 hybrids have been synthesized, using a layered-solution crystal-growth technique. The large dielectric constant is strongly affected by the polar ordering of its constituents. Progressive dipolar ordering of the methylammonium cation upon cooling below 300 K gradually converts the hexagonal structure (space group P63/mmc) into a monoclinic phase (C2/c) at 160 K. A well-pronounced, ferrielectric phase transition at 143 K is governed by in-plane ordering of the bismuth lone pair that breaks inversion symmetry and results in a polar phase (space group P21). The dielectric constant is markedly higher in the C2/c phase above this transition. Here, the bismuth lone pair is disordered in-plane, allowing the polarizability to be substantially enhanced. Density functional theory calculations estimate a large ferroelectric polarization of 7.94 μC/cm2 along the polar axis in the P21 phase. The calculated polarization has almost equal contributions of the methylammonium and Bi3+ lone pair, which are fairly decoupled.

UR - http://www.scopus.com/inward/record.url?scp=85008950506&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.6b01699

DO - 10.1021/acs.inorgchem.6b01699

M3 - Article

C2 - 27626290

AN - SCOPUS:85008950506

VL - 56

SP - 33

EP - 41

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 1

ER -

ID: 70818231