Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse

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

doi:10.1021/jacs.5b08216

Title: Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO₃ as the Origin of Volume Collapse

Journal Article · Tue Sep 15 00:00:00 EDT 2015 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.5b08216· OSTI ID:1271884

Yu, Runze ^[1]; Hojo, Hajime ^[1]; Watanuki, Tetsu ^[2]; Mizumaki, Masaichiro ^[3]; Mizokawa, Takashi ^[4]; Okada, Kengo ^[1]; Kim, Hyunjeong ^[5]; Machida, Akihiko ^[2]; Sakaki, Kouji ^[5]; Nakamura, Yumiko ^[5]; Agui, Akane ^[2]; Mori, Daisuke ^[6]; Inaguma, Yoshiyuki ^[6]; Schlipf, Martin ^[7]; Rushchanskii, Konstantin ^[7]; Lezaic, Marjana ^[7]; Matsuda, Masaaki ^[8]; Ma, Jie ^[8]; Calder, Stuart A. ^[8]; Isobe, Masahiko ^[4] 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)

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1271884

Journal Information:: Journal of the American Chemical Society, Vol. 137, Issue 39; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 32 works

Citation information provided by
Web of Science

References (51)

Microstructure related to charge and orbital ordering in $\Pr_{0.5} {Ca}_{0.5} {MnO}_{3}$ Mori, S.; Katsufuji, T.; Yamamoto, N. Physical Review B, Vol. 59, Issue 21 https://doi.org/10.1103/PhysRevB.59.13573	journal	June 1999
Charge disproportionation in CaFeO3 studied with the Mössbauer effect Takano, M.; Nakanishi, N.; Takeda, Y. Materials Research Bulletin, Vol. 12, Issue 9 https://doi.org/10.1016/0025-5408(77)90104-0	journal	September 1977
Complexity in Strongly Correlated Electronic Systems Dagotto, E. Science, Vol. 309, Issue 5732 https://doi.org/10.1126/science.1107559	journal	July 2005
Charge-cluster glass in an organic conductor Kagawa, F.; Sato, T.; Miyagawa, K. Nature Physics, Vol. 9, Issue 7 https://doi.org/10.1038/nphys2642	journal	June 2013
Valence-skipping compounds as positive-U electronic systems Harrison, Walter A. Physical Review B, Vol. 74, Issue 24 https://doi.org/10.1103/PhysRevB.74.245128	journal	December 2006
Mixed-valent Ba ₂ Bi ³⁺ Bi ⁵⁺ O ₆ : structure and properties vs temperature Cox, D. E.; Sleight, A. W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 35, Issue 1 https://doi.org/10.1107/S0567740879002417	journal	January 1979
High pressure synthesis, crystal structure and physical properties of a new Ni(ii) perovskite BiNiO3 Ishiwata, Shintaro; Azuma, Masaki; Takano, Mikio Journal of Materials Chemistry, Vol. 12, Issue 12 https://doi.org/10.1039/b206022a	journal	October 2002
Pressure-Induced Intermetallic Valence Transition in BiNiO ₃ Azuma, Masaki; Carlsson, Sandra; Rodgers, Jennifer Journal of the American Chemical Society, Vol. 129, Issue 46 https://doi.org/10.1021/ja074880u	journal	November 2007
Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer Azuma, Masaki; Chen, Wei-tin; Seki, Hayato Nature Communications, Vol. 2, Issue 1 https://doi.org/10.1038/ncomms1361	journal	June 2011
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 Seda, Takele; Hearne, G. R. Journal of Physics: Condensed Matter, Vol. 16, Issue 15 https://doi.org/10.1088/0953-8984/16/15/021	journal	April 2004
Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites Huang, Zixin; Auckett, Josie E.; Blanchard, Peter E. R. Angewandte Chemie International Edition, Vol. 53, Issue 13 https://doi.org/10.1002/anie.201311159	journal	February 2014
Temperature-induced A–B intersite charge transfer in an A-site-ordered LaCu3Fe4O12 perovskite Long, Y. W.; Hayashi, N.; Saito, T. Nature, Vol. 458, Issue 7234 https://doi.org/10.1038/nature07816	journal	March 2009
Crystal and Magnetic Structure of PbCrO ₃ Roth, W. L.; DeVries, R. C. Journal of Applied Physics, Vol. 38, Issue 3 https://doi.org/10.1063/1.1709698	journal	March 1967
A study on the PbCrO3 perovskite Chamberland, B. L.; Moeller, C. W. Journal of Solid State Chemistry, Vol. 5, Issue 1 https://doi.org/10.1016/0022-4596(72)90006-0	journal	July 1972
High-pressure Synthesis of PbCrO3 DeVRIES, R. C.; Roth, W. L. Journal of the American Ceramic Society, Vol. 51, Issue 2 https://doi.org/10.1111/j.1151-2916.1968.tb11839.x	journal	February 1968
Anomalous Electronic State in ${CaCrO}_{3}$ and ${SrCrO}_{3}$ Zhou, J. -S.; Jin, C. -Q.; Long, Y. -W. Physical Review Letters, Vol. 96, Issue 4 https://doi.org/10.1103/PhysRevLett.96.046408	journal	February 2006
Magnetic order, transport and infrared optical properties in the $A$ CrO $_{3}$ system ( $A$ $=$ Ca, Sr, and Pb) Komarek, A. C.; Möller, T.; Isobe, M. Physical Review B, Vol. 84, Issue 12 https://doi.org/10.1103/PhysRevB.84.125114	journal	September 2011
${CaCrO}_{3}$ : An Anomalous Antiferromagnetic Metallic Oxide Komarek, A. C.; Streltsov, S. V.; Isobe, M. Physical Review Letters, Vol. 101, Issue 16 https://doi.org/10.1103/PhysRevLett.101.167204	journal	October 2008
Microstrain Sensitivity of Orbital and Electronic Phase Separation in ${SrCrO}_{3}$ Ortega-San-Martin, Luis; Williams, Anthony J.; Rodgers, Jennifer Physical Review Letters, Vol. 99, Issue 25 https://doi.org/10.1103/PhysRevLett.99.255701	journal	December 2007
Antiferromagnetism and Spin Reorientation in “PbCrO ₃ ” Arévalo-López, Ángel M.; Dos santos-García, Antonio J.; Alario-Franco, Miguel Á. Inorganic Chemistry, Vol. 48, Issue 12 https://doi.org/10.1021/ic900423w	journal	June 2009
Large volume collapse observed in the phase transition in cubic PbCrO3 perovskite Xiao, W.; Tan, D.; Xiong, X. Proceedings of the National Academy of Sciences, Vol. 107, Issue 32 https://doi.org/10.1073/pnas.1005307107	journal	July 2010
Electrical Characterization in the Phase Transition between Cubic PbCrO ₃ Perovskites at High Pressures Wang, Wen-Dan; He, Duan-Wei; Xiao, Wan-Sheng Chinese Physics Letters, Vol. 30, Issue 11 https://doi.org/10.1088/0256-307X/30/11/117201	journal	November 2013
Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO $_{3}$ Ganesh, P.; Cohen, R. E. Physical Review B, Vol. 83, Issue 17 https://doi.org/10.1103/PhysRevB.83.172102	journal	May 2011
First-principles study of pressure-induced phase transition and electronic property of PbCrO ₃ Wang, Bao-Tian; Yin, Wen; Li, Wei-Dong Journal of Applied Physics, Vol. 111, Issue 1 https://doi.org/10.1063/1.3673865	journal	January 2012
Charge disproportionation and the pressure-induced insulator–metal transition in cubic perovskite PbCrO ₃ Cheng, Jinguang; Kweon, K. E.; Larregola, S. A. Proceedings of the National Academy of Sciences, Vol. 112, Issue 6 https://doi.org/10.1073/pnas.1424431112	journal	January 2015
On the structure and microstructure of “PbCrO3” Arévalo-López, Ángel M.; Alario-Franco, Miguel Á. Journal of Solid State Chemistry, Vol. 180, Issue 11 https://doi.org/10.1016/j.jssc.2007.09.017	journal	November 2007
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 Watanuki, T.; Machida, A.; Ikeda, T. Philosophical Magazine, Vol. 87, Issue 18-21 https://doi.org/10.1080/14786430701358707	journal	June 2007
Underneath the Bragg Peaks Egami, T.; Billinge, S. J. L. Materials Today, Vol. 6, Issue 6 https://doi.org/10.1016/S1369-7021(03)00635-7	journal	June 2003
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L. Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678 https://doi.org/10.1107/S0021889804011744	journal	July 2004
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
Systematic variation of the electronic structure of 3 d transition-metal compounds Saitoh, T.; Bocquet, A. E.; Mizokawa, T. Physical Review B, Vol. 52, Issue 11 https://doi.org/10.1103/PhysRevB.52.7934	journal	September 1995
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications Oganov, Artem R.; Glass, Colin W. The Journal of Chemical Physics, Vol. 124, Issue 24 https://doi.org/10.1063/1.2210932	journal	June 2006
How Evolutionary Crystal Structure Prediction Works—and Why Oganov, Artem R.; Lyakhov, Andriy O.; Valle, Mario Accounts of Chemical Research, Vol. 44, Issue 3 https://doi.org/10.1021/ar1001318	journal	March 2011
New developments in evolutionary structure prediction algorithm USPEX Lyakhov, Andriy O.; Oganov, Artem R.; Stokes, Harold T. Computer Physics Communications, Vol. 184, Issue 4 https://doi.org/10.1016/j.cpc.2012.12.009	journal	April 2013
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database Brown, I. D.; Altermatt, D. Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4 https://doi.org/10.1107/S0108768185002063	journal	August 1985
Valence instability and photochemical reaction at surface of strongly correlated MgTi ₂ O ₄ Fujiwara, H.; Ishige, Y.; Mizokawa, T. APL Materials, Vol. 1, Issue 2 https://doi.org/10.1063/1.4818355	journal	August 2013
Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions in ABX ₃ perovskites. I. Theory Carpenter, Michael A.; Howard, Christopher J. Acta Crystallographica Section B Structural Science, Vol. 65, Issue 2 https://doi.org/10.1107/S0108768109000974	journal	March 2009
The Compressibility of Media under Extreme Pressures Murnaghan, F. D. Proceedings of the National Academy of Sciences, Vol. 30, Issue 9 https://doi.org/10.1073/pnas.30.9.244	journal	September 1944
Lattice instabilities in bulk EuTiO $_{3}$ Bessas, D.; Rushchanskii, K. Z.; Kachlik, M. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144308	journal	October 2013
Metal-insulator transitions Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263 https://doi.org/10.1103/RevModPhys.70.1039	journal	October 1998
Structural, electrical, and magnetic properties of Pb2−xLaxCrO5 (0≤x≤0.15) Indovski, Biljana; Singh, M. P.; Razavi, F. S. Journal of Magnetism and Magnetic Materials, Vol. 331 https://doi.org/10.1016/j.jmmm.2012.11.007	journal	April 2013
Pressure/temperature/substitution-induced melting of A -site charge disproportionation in ${Bi}_{1 - x} {La}_{x} {NiO}_{3}$ $(0 ⩽ x ⩽ 0.5)$ Ishiwata, S.; Azuma, M.; Hanawa, M. Physical Review B, Vol. 72, Issue 4 https://doi.org/10.1103/PhysRevB.72.045104	journal	July 2005
Transport and magnetic properties of Pr1-xCaxCrO3 (x = 0.0–0.5): effect of t2g orbital degeneracy on the thermoelectric power Pal, S.; Hébert, S.; Yaicle, C. The European Physical Journal B, Vol. 53, Issue 1 https://doi.org/10.1140/epjb/e2006-00349-8	journal	September 2006
Structure and Physical Properties of Perovskite Bi _0.8 Pb _0.2 NiO ₃ in Unusual Valence State A ⁴⁺ B ²⁺ O ₃ Ishiwata, Shintaro; Azuma, Masaki; Takano, Mikio Chemistry of Materials, Vol. 19, Issue 8 https://doi.org/10.1021/cm062872r	journal	April 2007
Crystallographic Features and Tetragonal Phase Stability of PbVO ₃ , a New Member of PbTiO ₃ Family Belik, Alexei A.; Azuma, Masaki; Saito, Takashi Chemistry of Materials, Vol. 17, Issue 2 https://doi.org/10.1021/cm048387i	journal	January 2005
Synthesis, Structural Transformation, Thermal Stability, Valence State, and Magnetic and Electronic Properties of PbNiO ₃ with Perovskite- and LiNbO ₃ -Type Structures Inaguma, Yoshiyuki; Tanaka, Kie; Tsuchiya, Takeshi Journal of the American Chemical Society, Vol. 133, Issue 42 https://doi.org/10.1021/ja206247j	journal	October 2011

Cited By (2)

Hybridization-Switching Induced Mott Transition in $A B O_{3}$ Perovskites Paul, Atanu; Mukherjee, Anamitra; Dasgupta, Indra Physical Review Letters, Vol. 122, Issue 1 https://doi.org/10.1103/physrevlett.122.016404	journal	January 2019
Systematic charge distribution changes in Bi- and Pb-3d transition metal perovskites Azuma, Masaki; Sakai, Yuki; Nishikubo, Takumi Dalton Transactions, Vol. 47, Issue 5 https://doi.org/10.1039/c7dt03244g	journal	January 2018

Similar Records

Charge disproportionation and the pressure-induced insulator–metal transition in cubic perovskite PbCrO ₃

Journal Article · Mon Jan 26 00:00:00 EST 2015 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1271884

Cheng, Jinguang; Kweon, K. E.; Larregola, S. A.; +12 more

High pressure synthesis and properties of Bi{sub 0.5}Pb{sub 0.5}CrO{sub 3}: A novel Cr{sup 4+}/Cr{sup 3+} perovskite

Journal Article · Fri May 15 00:00:00 EDT 2015 · Journal of Solid State Chemistry · OSTI ID:1271884

Pirrotta, Ivan; Schmidt, Rainer; Dos Santos-García, Antonio J.; +3 more

Unusual Mott transition in multiferroic PbCrO ₃

Journal Article · Tue Nov 24 00:00:00 EST 2015 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1271884

Wang, Shanmin; Zhu, Jinlong; Zhang, Yi; +11 more

Related Subjects

36 MATERIALS SCIENCE

Title: Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO3 as the Origin of Volume Collapse

Citation Formats

References (51)

Cited By (2)

Similar Records

Related Subjects

Title: Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO₃ as the Origin of Volume Collapse