skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs

Abstract

Not provided.

Authors:
; ;
Publication Date:
Research Org.:
Case Western Reserve Univ., Cleveland, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1541388
DOE Contract Number:  
SC0008933
Resource Type:
Journal Article
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 6; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science

Citation Formats

Radha, Santosh Kumar, Bhandari, Churna, and Lambrecht, Walter R. L. Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs. United States: N. p., 2018. Web. doi:10.1103/physrevmaterials.2.063605.
Radha, Santosh Kumar, Bhandari, Churna, & Lambrecht, Walter R. L. Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs. United States. doi:10.1103/physrevmaterials.2.063605.
Radha, Santosh Kumar, Bhandari, Churna, and Lambrecht, Walter R. L. Fri . "Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs". United States. doi:10.1103/physrevmaterials.2.063605.
@article{osti_1541388,
title = {Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs},
author = {Radha, Santosh Kumar and Bhandari, Churna and Lambrecht, Walter R. L.},
abstractNote = {Not provided.},
doi = {10.1103/physrevmaterials.2.063605},
journal = {Physical Review Materials},
issn = {2475-9953},
number = 6,
volume = 2,
place = {United States},
year = {2018},
month = {6}
}

Works referenced in this record:

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
journal, May 2009

  • Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo
  • Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051
  • DOI: 10.1021/ja809598r

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
journal, October 2012


Low-temperature processed meso-superstructured to thin-film perovskite solar cells
journal, January 2013

  • Ball, James M.; Lee, Michael M.; Hey, Andrew
  • Energy & Environmental Science, Vol. 6, Issue 6
  • DOI: 10.1039/c3ee40810h

Morphological Control for High Performance, Solution-Processed Planar Heterojunction Perovskite Solar Cells
journal, September 2013

  • Eperon, Giles E.; Burlakov, Victor M.; Docampo, Pablo
  • Advanced Functional Materials, Vol. 24, Issue 1, p. 151-157
  • DOI: 10.1002/adfm.201302090

Efficient planar heterojunction perovskite solar cells by vapour deposition
journal, September 2013

  • Liu, Mingzhen; Johnston, Michael B.; Snaith, Henry J.
  • Nature, Vol. 501, Issue 7467, p. 395-398
  • DOI: 10.1038/nature12509

Sequential deposition as a route to high-performance perovskite-sensitized solar cells
journal, July 2013

  • Burschka, Julian; Pellet, Norman; Moon, Soo-Jin
  • Nature, Vol. 499, Issue 7458, p. 316-319
  • DOI: 10.1038/nature12340

Organolead Halide Perovskite: New Horizons in Solar Cell Research
journal, February 2014

  • Kim, Hui-Seon; Im, Sang Hyuk; Park, Nam-Gyu
  • The Journal of Physical Chemistry C, Vol. 118, Issue 11, p. 5615-5625
  • DOI: 10.1021/jp409025w

Perovskite solar cells: an emerging photovoltaic technology
journal, March 2015


Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation
journal, November 2014

  • Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
  • Chemistry of Materials, Vol. 26, Issue 22
  • DOI: 10.1021/cm5032046

Lattice dynamics in perovskite halides CsSn X 3 with X = I ,   Br ,   Cl
journal, November 2014


Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl 3 , CsSnBr 3 , and CsSnI 3
journal, October 2013


CsSnI3 : Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions
journal, May 2012

  • Chung, In; Song, Jung-Hwan; Im, Jino
  • Journal of the American Chemical Society, Vol. 134, Issue 20, p. 8579-8587
  • DOI: 10.1021/ja301539s

Electronic band structure trends of perovskite halides: Beyond Pb and Sn to Ge and Si
journal, May 2016


Phase stability and transformations in the halide perovskite CsSnI 3
journal, April 2015

  • da Silva, E. Lora; Skelton, Jonathan M.; Parker, Stephen C.
  • Physical Review B, Vol. 91, Issue 14
  • DOI: 10.1103/PhysRevB.91.144107

Die Gesetze der Krystallochemie
journal, May 1926


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method
journal, March 2010


Nonsingular Hankel functions as a new basis for electronic structure calculations
journal, June 1998

  • Bott, E.; Methfessel, M.; Krabs, W.
  • Journal of Mathematical Physics, Vol. 39, Issue 6
  • DOI: 10.1063/1.532437

The classification of tilted octahedra in perovskites
journal, November 1972

  • Glazer, A. M.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
  • DOI: 10.1107/S0567740872007976

Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces
journal, February 1997


Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
journal, January 2011

  • Walsh, Aron; Payne, David J.; Egdell, Russell G.
  • Chemical Society Reviews, Vol. 40, Issue 9
  • DOI: 10.1039/c1cs15098g

First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb
journal, March 2003


Dynamic Stereochemical Activity of the Sn 2+ Lone Pair in Perovskite CsSnBr 3
journal, September 2016

  • Fabini, Douglas H.; Laurita, Geneva; Bechtel, Jonathon S.
  • Journal of the American Chemical Society, Vol. 138, Issue 36
  • DOI: 10.1021/jacs.6b06287

Interplay of Octahedral Rotations and Lone Pair Ferroelectricity in CsPbF 3
journal, August 2015


Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO 3
journal, March 1997


Lattice dynamics of BaTiO 3 , PbTiO 3 , and PbZrO 3 : A comparative first-principles study
journal, July 1999


Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976


The structural diversity of AB S 3 compounds with d 0 electronic configuration for the B -cation
journal, June 2014

  • Brehm, John A.; Bennett, Joseph W.; Schoenberg, Michael Rutenberg
  • The Journal of Chemical Physics, Vol. 140, Issue 22
  • DOI: 10.1063/1.4879659

On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system
journal, January 2016

  • Travis, W.; Glover, E. N. K.; Bronstein, H.
  • Chemical Science, Vol. 7, Issue 7
  • DOI: 10.1039/C5SC04845A

Competing Structural Instabilities in Cubic Perovskites
journal, March 1995


Structural Phase Transitions of the Polymorphs of CsSnI3 by Means of Rietveld Analysis of the X-Ray Diffraction
journal, May 1991

  • Yamada, Koji; Funabiki, Shinya; Horimoto, Hiromi
  • Chemistry Letters, Vol. 20, Issue 5, p. 801-804
  • DOI: 10.1246/cl.1991.801

Kristallstrukturen und Phasentransformationen von Caesiumtrihalogenogermanaten(II) CsGeX3 (X = Cl, Br, I)
journal, February 1987

  • Thiele, Gerhard; Rotter, Heinz Wilhelm; Schmidt, Klaus Dieter
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 545, Issue 2
  • DOI: 10.1002/zaac.19875450217

Theory of displacive phase transitions in minerals
journal, April 1997