High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite

doi:10.1002/ange.201912575

This content will become publicly available on January 23, 2021

Title: High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite

Authors:

^[1]; Mack, Stephanie A. ^[2]; Lin, Yu ^[3]; Mao, Wendy L. ^[4]; Neaton, Jeffrey B. ^[5];

^[6]

Department of ChemistryStanford University Stanford CA 94305 USA
Department of PhysicsUniversity of California Berkeley Berkeley CA 94720 USA, Materials Sciences DivisionLawrence Berkeley National Laboratory Berkeley CA 94720 USA
Stanford Institute for Materials and Energy SciencesSLAC National Accelerator Laboratory Menlo Park CA 94025 USA
Stanford Institute for Materials and Energy SciencesSLAC National Accelerator Laboratory Menlo Park CA 94025 USA, Department of Geological SciencesStanford University Stanford CA 94305 USA
Department of PhysicsUniversity of California Berkeley Berkeley CA 94720 USA, Materials Sciences DivisionLawrence Berkeley National Laboratory Berkeley CA 94720 USA, Kavli Energy NanoScience InstituteUniversity of California Berkeley Berkeley CA 94720 USA
Department of ChemistryStanford University Stanford CA 94305 USA, Stanford Institute for Materials and Energy SciencesSLAC National Accelerator Laboratory Menlo Park CA 94025 USA

Publication Date:: 2020-01-24

Sponsoring Org.:: USDOE

OSTI Identifier:: 1594193

Grant/Contract Number:: AC02-76SF00515; AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Angewandte Chemie

Additional Journal Information:: Journal Name: Angewandte Chemie; Journal ID: ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Jaffe, Adam, Mack, Stephanie A., Lin, Yu, Mao, Wendy L., Neaton, Jeffrey B., and Karunadasa, Hemamala I. High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite.  Germany: N. p., 2020. 
        Web.  doi:10.1002/ange.201912575.

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                    Jaffe, Adam, Mack, Stephanie A., Lin, Yu, Mao, Wendy L., Neaton, Jeffrey B., & Karunadasa, Hemamala I. High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite.  Germany.  doi:10.1002/ange.201912575.

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                    Jaffe, Adam, Mack, Stephanie A., Lin, Yu, Mao, Wendy L., Neaton, Jeffrey B., and Karunadasa, Hemamala I. Fri .  
        "High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite".  Germany.  doi:10.1002/ange.201912575.

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@article{osti_1594193,

  title        = {High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite},

  author       = {Jaffe, Adam and Mack, Stephanie A. and Lin, Yu and Mao, Wendy L. and Neaton, Jeffrey B. and Karunadasa, Hemamala I.},

  abstractNote = {},

  doi          = {10.1002/ange.201912575},

  journal      = {Angewandte Chemie},

  number       = ,

  volume       = ,

  place        = {Germany},

  year         = {2020},

  month        = {1}

}

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This content will become publicly available on January 23, 2021

Title: High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities journal, March 2012

Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu–Cl Hybrid Perovskite journal, January 2015

The role of Jahn–Teller distortion in insulator to semiconductor phase transition in organic–inorganic hybrid compound (p-chloroanilinium) 2 CuCl 4 at high pressure journal, January 2015

Lead-Free MA 2 CuCl x Br 4– x Hybrid Perovskites journal, January 2016

The electronic structure of organic–inorganic hybrid compounds: (NH 4 ) 2 CuCl 4 , (CH 3 NH 3 ) 2 CuCl 4 and (C 2 H 5 NH 3 ) 2 CuCl 4 journal, June 2013

Structures of the antiferrodistortive layer perovskites bis(phenethylammonium) tetrahalocuprate(II), halo = Cl−, Br− journal, April 1990

Pressure-induced phase transitions and templating effect in three-dimensional organic-inorganic hybrid perovskites journal, July 2003

Influence of the exchange screening parameter on the performance of screened hybrid functionals journal, December 2006

Crystal structures of three new copper(II) halide layered perovskites: structural, crystallographic, and magnetic correlations journal, December 1988

Pressure‐induced disappearance of the in‐plane lattice distortion in layered cupric chloride: (C 2 H 5 NH 3 ) 2 CuCl 4 journal, August 1994

Variation of the Jahn–Teller distortion with pressure in perovskite layers A2CuCl4. Influence on the charge-transfer band journal, January 2007

Pressure-Induced Metallization of the Halide Perovskite (CH 3 NH 3 )PbI 3 journal, March 2017

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Superconductivity up to 164 K in HgBa 2 Ca m − 1 Cu m O 2 m + 2 + δ ( m =1, 2, and 3) under quasihydrostatic pressures journal, August 1994

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties journal, April 2016

High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH 3 -(CH 2 ) 4 -NH 3 ]CuCl 4 journal, January 2017

Detailed absorption, reflectance, and UV photoelectron spectroscopic and theoretical studies of the charge-transfer transitions of tetrachlorocuprate(2-) ion: correlation of the square-planar and the tetrahedral limits journal, July 1983

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data journal, February 2009

Correlation between the pressure-induced changes in the Hall coefficient and Tc in superconducting cuprates journal, November 1991

Halide Perovskites under Pressure: Accessing New Properties through Lattice Compression journal, June 2017

Electron-phonon coupling in charge-transfer and crystal-field states of Jahn-Teller CuCl 6 4 − systems journal, October 1999

Suppression of Jahn–Teller Distortions and Origin of Piezochromism and Thermochromism in Cu–Cl Hybrid Perovskite journal, June 2016

Polarized, single-crystal, electronic spectral studies of hexachlorodicuprate(2-): excited-state effects of binuclear interaction journal, January 1987

Experiments on simple magnetic model systems journal, January 1974

Structural properties and phase transition of hole-orbital-ordered ( C 2 H 5 N H 3 ) 2 Cu Cl 4 studied by resonant and non-resonant x-ray scatterings under high pressure journal, July 2005

Generalized Gradient Approximation Made Simple
journal, October 1996

Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
journal, March 2012

Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu–Cl Hybrid Perovskite
journal, January 2015

The role of Jahn–Teller distortion in insulator to semiconductor phase transition in organic–inorganic hybrid compound (p-chloroanilinium) 2 CuCl 4 at high pressure
journal, January 2015

Lead-Free MA ₂ CuCl _x Br _{4– x} Hybrid Perovskites
journal, January 2016

The electronic structure of organic–inorganic hybrid compounds: (NH 4 ) 2 CuCl 4 , (CH 3 NH 3 ) 2 CuCl 4 and (C 2 H 5 NH 3 ) 2 CuCl 4
journal, June 2013

Structures of the antiferrodistortive layer perovskites bis(phenethylammonium) tetrahalocuprate(II), halo = Cl−, Br−
journal, April 1990

Pressure-induced phase transitions and templating effect in three-dimensional organic-inorganic hybrid perovskites
journal, July 2003

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

Crystal structures of three new copper(II) halide layered perovskites: structural, crystallographic, and magnetic correlations
journal, December 1988

Pressure‐induced disappearance of the in‐plane lattice distortion in layered cupric chloride: (C 2 H 5 NH 3 ) 2 CuCl 4
journal, August 1994

Variation of the Jahn–Teller distortion with pressure in perovskite layers A2CuCl4. Influence on the charge-transfer band
journal, January 2007

Pressure-Induced Metallization of the Halide Perovskite (CH ₃ NH ₃ )PbI ₃
journal, March 2017

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Superconductivity up to 164 K in ${HgBa}_{2}$ ${Ca}_{m - 1}$ ${Cu}_{m}$ $O_{2 m + 2 + δ}$ ( m =1, 2, and 3) under quasihydrostatic pressures
journal, August 1994

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties
journal, April 2016

High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH ₃ -(CH ₂ ) ₄ -NH ₃ ]CuCl ₄
journal, January 2017

Detailed absorption, reflectance, and UV photoelectron spectroscopic and theoretical studies of the charge-transfer transitions of tetrachlorocuprate(2-) ion: correlation of the square-planar and the tetrahedral limits
journal, July 1983

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
journal, February 2009

Correlation between the pressure-induced changes in the Hall coefficient and Tc in superconducting cuprates
journal, November 1991

Halide Perovskites under Pressure: Accessing New Properties through Lattice Compression
journal, June 2017

Electron-phonon coupling in charge-transfer and crystal-field states of Jahn-Teller CuCl 6 4 − systems
journal, October 1999

Suppression of Jahn–Teller Distortions and Origin of Piezochromism and Thermochromism in Cu–Cl Hybrid Perovskite
journal, June 2016

Polarized, single-crystal, electronic spectral studies of hexachlorodicuprate(2-): excited-state effects of binuclear interaction
journal, January 1987

Experiments on simple magnetic model systems
journal, January 1974

Structural properties and phase transition of hole-orbital-ordered ( C 2 H 5 N H 3 ) 2 Cu Cl 4 studied by resonant and non-resonant x-ray scatterings under high pressure
journal, July 2005