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dc.contributor.author
Cheng, Jinguang
dc.contributor.author
Kweon, K. E.
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Larregola, Sebastian Alberto
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Ding, Yang
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Shirako, Y.
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Marshall, L. G.
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Li, Z. Y.
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Li, X.
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Dos Santos, António M.
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Suchomel, M. R.
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Matsubayashi, K.
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Uwatoko, Y.
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Hwang, G. S.
dc.contributor.author
Goodenough, John B.
dc.contributor.author
Zhou, J. S.
dc.date.available
2016-05-27T17:19:05Z
dc.date.issued
2014-12
dc.identifier.citation
Cheng, Jinguang; Kweon, K. E.; Larregola, Sebastian Alberto; Ding, Yang; Shirako, Y.; et al.; Charge disproportionation and the pressure-induced insulator?metal transition in cubic perovskite PbCrO3; National Academy of Sciences; Proceedings of the National Academy of Sciences of The United States of America; 112; 6; 12-2014; 1670–1674
dc.identifier.issn
0027-8424
dc.identifier.uri
http://hdl.handle.net/11336/5882
dc.description.abstract
The perovskite PbCrO3 is an antiferromagnetic insulator. However, the fundamental interactions leading to the insulating state in this single-valent perovskite are unclear. Moreover, the origin of the unprecedented volume drop observed at a modest pressure of P = 1.6 GPa remains an outstanding problem. We report a variety of in situ pressure measurements including electron transport properties, X-ray absorption spectrum, and crystal structure study by X-ray and neutron diffraction. These studies reveal key information leading to the elucidation of the physics behind the insulating state and the pressure-induced transition. We argue that a charge disproportionation 3Cr4+ → 2Cr3+ + Cr6+ in association with the 6s-p hybridization on the Pb2+ is responsible for the insulating ground state of PbCrO3 at ambient pressure and the charge disproportionation phase is suppressed under pressure to give rise to a metallic phase at high pressure. The model is well supported by density function theory plus the correlation energy U (DFT+U) calculations.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
National Academy of Sciences
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
High Pressure
dc.subject
Perovskite
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Insulator-Metal Transition
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Charge Disproportionation
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Charge disproportionation and the pressure-induced insulator?metal transition in cubic perovskite PbCrO3
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-05-16T20:06:38Z
dc.journal.volume
112
dc.journal.number
6
dc.journal.pagination
1670–1674
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Cheng, Jinguang. University Of Texas At Austin; Estados Unidos. Chinese Academy Of Sciences; República de China. University of Tokyo. Institute for Solid State Physics; Japón
dc.description.fil
Fil: Kweon, K. E.. University Of Texas At Austin; Estados Unidos
dc.description.fil
Fil: Larregola, Sebastian Alberto. University Of Texas At Austin; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Investigaciones en Tecnología Química; Argentina
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Fil: Ding, Yang. Argonne National Laboratory; Estados Unidos
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Fil: Shirako, Y.. University Of Texas At Austin; Estados Unidos
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Fil: Marshall, L. G.. University Of Texas At Austin; Estados Unidos. Northeastern University; Estados Unidos
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Fil: Li, Z. Y.. University Of Texas At Austin; Estados Unidos
dc.description.fil
Fil: Li, X.. University Of Texas At Austin; Estados Unidos
dc.description.fil
Fil: Dos Santos, António M.. Oak Ridge National Laboratory. Quantum Condensed Matter Division; Estados Unidos
dc.description.fil
Fil: Suchomel, M. R.. Argonne National Laboratory; Estados Unidos
dc.description.fil
Fil: Matsubayashi, K.. University of Tokyo. Institute for Solid State Physics; Japón
dc.description.fil
Fil: Uwatoko, Y.. University of Tokyo. Institute for Solid State Physics; Japón
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Fil: Hwang, G. S.. University Of Texas At Austin; Estados Unidos
dc.description.fil
Fil: Goodenough, John B.. University Of Texas At Austin; Estados Unidos
dc.description.fil
Fil: Zhou, J. S.. University Of Texas At Austin; Estados Unidos
dc.journal.title
Proceedings of the National Academy of Sciences of The United States of America
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.pnas.org/content/112/6/1670.abstract
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1073/pnas.1424431112
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1073/pnas.1424431112
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/pmid/PMC4330739
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4330739/
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