Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse
Abstract
A metal to insulator transition in integer or half integer charge systems can be regarded as crystallization of charges. The insulating state tends to have a glassy nature when randomness or geometrical frustration exists. In this paper, we report that the charge glass state is realized in a perovskite compound PbCrO3, which has been known for almost 50 years, without any obvious inhomogeneity or triangular arrangement in the charge system. PbCrO3 has a valence state of Pb2+0.5Pb4+0.5Cr3+O3 with Pb2+–Pb4+ correlation length of three lattice-spacings at ambient condition. A pressure induced melting of charge glass and simultaneous Pb–Cr charge transfer causes an insulator to metal transition and ~10% volume collapse.
- Authors:
-
more »
- Tokyo Inst. of Technology (Japan)
- Japan Atomic Energy Agency (JAEA), Hyogo (Japan)
- Japan Synchrotron Radiation Research Institute, Sayo, Hyogo (Japan)
- Univ. of Tokyo (Japan)
- National Inst. of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)
- Gakushuin University, Tokyo (Japan)
- Forschungszentrum Julich (Germany)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1271884
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Chemical Society
- Additional Journal Information:
- Journal Volume: 137; Journal Issue: 39; Journal ID: ISSN 0002-7863
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Yu, Runze, Hojo, Hajime, Watanuki, Tetsu, Mizumaki, Masaichiro, Mizokawa, Takashi, Okada, Kengo, Kim, Hyunjeong, Machida, Akihiko, Sakaki, Kouji, Nakamura, Yumiko, Agui, Akane, Mori, Daisuke, Inaguma, Yoshiyuki, Schlipf, Martin, Rushchanskii, Konstantin, Lezaic, Marjana, Matsuda, Masaaki, Ma, Jie, Calder, Stuart A., Isobe, Masahiko, Ikuhara, Yuichi, and Azuma, Masaki. Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse. United States: N. p., 2015.
Web. doi:10.1021/jacs.5b08216.
Yu, Runze, Hojo, Hajime, Watanuki, Tetsu, Mizumaki, Masaichiro, Mizokawa, Takashi, Okada, Kengo, Kim, Hyunjeong, Machida, Akihiko, Sakaki, Kouji, Nakamura, Yumiko, Agui, Akane, Mori, Daisuke, Inaguma, Yoshiyuki, Schlipf, Martin, Rushchanskii, Konstantin, Lezaic, Marjana, Matsuda, Masaaki, Ma, Jie, Calder, Stuart A., Isobe, Masahiko, Ikuhara, Yuichi, & Azuma, Masaki. Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse. United States. https://doi.org/10.1021/jacs.5b08216
Yu, Runze, Hojo, Hajime, Watanuki, Tetsu, Mizumaki, Masaichiro, Mizokawa, Takashi, Okada, Kengo, Kim, Hyunjeong, Machida, Akihiko, Sakaki, Kouji, Nakamura, Yumiko, Agui, Akane, Mori, Daisuke, Inaguma, Yoshiyuki, Schlipf, Martin, Rushchanskii, Konstantin, Lezaic, Marjana, Matsuda, Masaaki, Ma, Jie, Calder, Stuart A., Isobe, Masahiko, Ikuhara, Yuichi, and Azuma, Masaki. Tue .
"Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse". United States. https://doi.org/10.1021/jacs.5b08216. https://www.osti.gov/servlets/purl/1271884.
@article{osti_1271884,
title = {Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse},
author = {Yu, Runze and Hojo, Hajime and Watanuki, Tetsu and Mizumaki, Masaichiro and Mizokawa, Takashi and Okada, Kengo and Kim, Hyunjeong and Machida, Akihiko and Sakaki, Kouji and Nakamura, Yumiko and Agui, Akane and Mori, Daisuke and Inaguma, Yoshiyuki and Schlipf, Martin and Rushchanskii, Konstantin and Lezaic, Marjana and Matsuda, Masaaki and Ma, Jie and Calder, Stuart A. and Isobe, Masahiko and Ikuhara, Yuichi and Azuma, Masaki},
abstractNote = {A metal to insulator transition in integer or half integer charge systems can be regarded as crystallization of charges. The insulating state tends to have a glassy nature when randomness or geometrical frustration exists. In this paper, we report that the charge glass state is realized in a perovskite compound PbCrO3, which has been known for almost 50 years, without any obvious inhomogeneity or triangular arrangement in the charge system. PbCrO3 has a valence state of Pb2+0.5Pb4+0.5Cr3+O3 with Pb2+–Pb4+ correlation length of three lattice-spacings at ambient condition. A pressure induced melting of charge glass and simultaneous Pb–Cr charge transfer causes an insulator to metal transition and ~10% volume collapse.},
doi = {10.1021/jacs.5b08216},
journal = {Journal of the American Chemical Society},
number = 39,
volume = 137,
place = {United States},
year = {Tue Sep 15 00:00:00 EDT 2015},
month = {Tue Sep 15 00:00:00 EDT 2015}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 32 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Microstructure related to charge and orbital ordering in
journal, June 1999
- Mori, S.; Katsufuji, T.; Yamamoto, N.
- Physical Review B, Vol. 59, Issue 21
Charge disproportionation in CaFeO3 studied with the Mössbauer effect
journal, September 1977
- Takano, M.; Nakanishi, N.; Takeda, Y.
- Materials Research Bulletin, Vol. 12, Issue 9
Complexity in Strongly Correlated Electronic Systems
journal, July 2005
- Dagotto, E.
- Science, Vol. 309, Issue 5732
Charge-cluster glass in an organic conductor
journal, June 2013
- Kagawa, F.; Sato, T.; Miyagawa, K.
- Nature Physics, Vol. 9, Issue 7
Valence-skipping compounds as positive-U electronic systems
journal, December 2006
- Harrison, Walter A.
- Physical Review B, Vol. 74, Issue 24
Mixed-valent Ba 2 Bi 3+ Bi 5+ O 6 : structure and properties vs temperature
journal, January 1979
- Cox, D. E.; Sleight, A. W.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 35, Issue 1
High pressure synthesis, crystal structure and physical properties of a new Ni(ii) perovskite BiNiO3
journal, October 2002
- Ishiwata, Shintaro; Azuma, Masaki; Takano, Mikio
- Journal of Materials Chemistry, Vol. 12, Issue 12
Pressure-Induced Intermetallic Valence Transition in BiNiO 3
journal, November 2007
- Azuma, Masaki; Carlsson, Sandra; Rodgers, Jennifer
- Journal of the American Chemical Society, Vol. 129, Issue 46
Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer
journal, June 2011
- Azuma, Masaki; Chen, Wei-tin; Seki, Hayato
- Nature Communications, Vol. 2, Issue 1
Pressure induced Fe 2+ +Ti 4+ Fe 3+ +Ti 3+ intervalence charge transfer and the Fe 3+ /Fe 2+ ratio in natural ilmenite (FeTiO 3 ) minerals
journal, April 2004
- Seda, Takele; Hearne, G. R.
- Journal of Physics: Condensed Matter, Vol. 16, Issue 15
Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites
journal, February 2014
- Huang, Zixin; Auckett, Josie E.; Blanchard, Peter E. R.
- Angewandte Chemie International Edition, Vol. 53, Issue 13
Temperature-induced A–B intersite charge transfer in an A-site-ordered LaCu3Fe4O12 perovskite
journal, March 2009
- Long, Y. W.; Hayashi, N.; Saito, T.
- Nature, Vol. 458, Issue 7234
Crystal and Magnetic Structure of PbCrO 3
journal, March 1967
- Roth, W. L.; DeVries, R. C.
- Journal of Applied Physics, Vol. 38, Issue 3
A study on the PbCrO3 perovskite
journal, July 1972
- Chamberland, B. L.; Moeller, C. W.
- Journal of Solid State Chemistry, Vol. 5, Issue 1
High-pressure Synthesis of PbCrO3
journal, February 1968
- DeVRIES, R. C.; Roth, W. L.
- Journal of the American Ceramic Society, Vol. 51, Issue 2
Anomalous Electronic State in and
journal, February 2006
- Zhou, J. -S.; Jin, C. -Q.; Long, Y. -W.
- Physical Review Letters, Vol. 96, Issue 4
Magnetic order, transport and infrared optical properties in the CrO system ( Ca, Sr, and Pb)
journal, September 2011
- Komarek, A. C.; Möller, T.; Isobe, M.
- Physical Review B, Vol. 84, Issue 12
: An Anomalous Antiferromagnetic Metallic Oxide
journal, October 2008
- Komarek, A. C.; Streltsov, S. V.; Isobe, M.
- Physical Review Letters, Vol. 101, Issue 16
Microstrain Sensitivity of Orbital and Electronic Phase Separation in
journal, December 2007
- Ortega-San-Martin, Luis; Williams, Anthony J.; Rodgers, Jennifer
- Physical Review Letters, Vol. 99, Issue 25
Antiferromagnetism and Spin Reorientation in “PbCrO 3 ”
journal, June 2009
- Arévalo-López, Ángel M.; Dos santos-García, Antonio J.; Alario-Franco, Miguel Á.
- Inorganic Chemistry, Vol. 48, Issue 12
Large volume collapse observed in the phase transition in cubic PbCrO3 perovskite
journal, July 2010
- Xiao, W.; Tan, D.; Xiong, X.
- Proceedings of the National Academy of Sciences, Vol. 107, Issue 32
Electrical Characterization in the Phase Transition between Cubic PbCrO 3 Perovskites at High Pressures
journal, November 2013
- Wang, Wen-Dan; He, Duan-Wei; Xiao, Wan-Sheng
- Chinese Physics Letters, Vol. 30, Issue 11
Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO
journal, May 2011
- Ganesh, P.; Cohen, R. E.
- Physical Review B, Vol. 83, Issue 17
First-principles study of pressure-induced phase transition and electronic property of PbCrO 3
journal, January 2012
- Wang, Bao-Tian; Yin, Wen; Li, Wei-Dong
- Journal of Applied Physics, Vol. 111, Issue 1
Charge disproportionation and the pressure-induced insulator–metal transition in cubic perovskite PbCrO 3
journal, January 2015
- Cheng, Jinguang; Kweon, K. E.; Larregola, S. A.
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 6
On the structure and microstructure of “PbCrO3”
journal, November 2007
- Arévalo-López, Ángel M.; Alario-Franco, Miguel Á.
- Journal of Solid State Chemistry, Vol. 180, Issue 11
Development of a single-crystal X-ray diffraction system for hydrostatic-pressure and low-temperature structural measurement and its application to the phase study of quasicrystals
journal, June 2007
- Watanuki, T.; Machida, A.; Ikeda, T.
- Philosophical Magazine, Vol. 87, Issue 18-21
Underneath the Bragg Peaks
journal, June 2003
- Egami, T.; Billinge, S. J. L.
- Materials Today, Vol. 6, Issue 6
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004
- Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
- Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007
- Farrow, C. L.; Juhas, P.; Liu, J. W.
- Journal of Physics: Condensed Matter, Vol. 19, Issue 33
Systematic variation of the electronic structure of 3 d transition-metal compounds
journal, September 1995
- Saitoh, T.; Bocquet, A. E.; Mizokawa, T.
- Physical Review B, Vol. 52, Issue 11
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
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995
- Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
- Physical Review B, Vol. 52, Issue 8
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
journal, June 2006
- Oganov, Artem R.; Glass, Colin W.
- The Journal of Chemical Physics, Vol. 124, Issue 24
How Evolutionary Crystal Structure Prediction Works—and Why
journal, March 2011
- Oganov, Artem R.; Lyakhov, Andriy O.; Valle, Mario
- Accounts of Chemical Research, Vol. 44, Issue 3
New developments in evolutionary structure prediction algorithm USPEX
journal, April 2013
- Lyakhov, Andriy O.; Oganov, Artem R.; Stokes, Harold T.
- Computer Physics Communications, Vol. 184, Issue 4
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database
journal, August 1985
- Brown, I. D.; Altermatt, D.
- Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4
Valence instability and photochemical reaction at surface of strongly correlated MgTi 2 O 4
journal, August 2013
- Fujiwara, H.; Ishige, Y.; Mizokawa, T.
- APL Materials, Vol. 1, Issue 2
Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions in ABX 3 perovskites. I. Theory
journal, March 2009
- Carpenter, Michael A.; Howard, Christopher J.
- Acta Crystallographica Section B Structural Science, Vol. 65, Issue 2
The Compressibility of Media under Extreme Pressures
journal, September 1944
- Murnaghan, F. D.
- Proceedings of the National Academy of Sciences, Vol. 30, Issue 9
Lattice instabilities in bulk EuTiO
journal, October 2013
- Bessas, D.; Rushchanskii, K. Z.; Kachlik, M.
- Physical Review B, Vol. 88, Issue 14
Metal-insulator transitions
journal, October 1998
- Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
- Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
Structural, electrical, and magnetic properties of Pb2−xLaxCrO5 (0≤x≤0.15)
journal, April 2013
- Indovski, Biljana; Singh, M. P.; Razavi, F. S.
- Journal of Magnetism and Magnetic Materials, Vol. 331
Pressure/temperature/substitution-induced melting of A -site charge disproportionation in
journal, July 2005
- Ishiwata, S.; Azuma, M.; Hanawa, M.
- Physical Review B, Vol. 72, Issue 4
Transport and magnetic properties of Pr1-xCaxCrO3 (x = 0.0–0.5): effect of t2g orbital degeneracy on the thermoelectric power
journal, September 2006
- Pal, S.; Hébert, S.; Yaicle, C.
- The European Physical Journal B, Vol. 53, Issue 1
Structure and Physical Properties of Perovskite Bi 0.8 Pb 0.2 NiO 3 in Unusual Valence State A 4+ B 2+ O 3
journal, April 2007
- Ishiwata, Shintaro; Azuma, Masaki; Takano, Mikio
- Chemistry of Materials, Vol. 19, Issue 8
Crystallographic Features and Tetragonal Phase Stability of PbVO 3 , a New Member of PbTiO 3 Family
journal, January 2005
- Belik, Alexei A.; Azuma, Masaki; Saito, Takashi
- Chemistry of Materials, Vol. 17, Issue 2
Synthesis, Structural Transformation, Thermal Stability, Valence State, and Magnetic and Electronic Properties of PbNiO 3 with Perovskite- and LiNbO 3 -Type Structures
journal, October 2011
- Inaguma, Yoshiyuki; Tanaka, Kie; Tsuchiya, Takeshi
- Journal of the American Chemical Society, Vol. 133, Issue 42
Works referencing / citing this record:
Hybridization-Switching Induced Mott Transition in Perovskites
journal, January 2019
- Paul, Atanu; Mukherjee, Anamitra; Dasgupta, Indra
- Physical Review Letters, Vol. 122, Issue 1
Systematic charge distribution changes in Bi- and Pb-3d transition metal perovskites
journal, January 2018
- Azuma, Masaki; Sakai, Yuki; Nishikubo, Takumi
- Dalton Transactions, Vol. 47, Issue 5