Charge disproportionation and the pressure-induced insulator-metal transition in cubic perovskite PbCrO3

Jinguang Chenga, K. E. Kweon, S. A. Larregola, Yang Ding, Y. Shirako, L. G. Marshall, Z. Y. Li, X. Li, António M.Dos Santos, M. R. Suchomel, K. Matsubayashi, Y. Uwatoko, G. S. Hwang, John B. Goodenough, J. S. Zhou

Research output: Contribution to journalArticlepeer-review

37 Scopus citations

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 associationwith 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.

Original languageEnglish
Pages (from-to)1670-1674
Number of pages5
JournalProceedings of the National Academy of Sciences of the United States of America
Volume112
Issue number6
DOIs
StatePublished - 10 Feb 2015

Keywords

  • Charge disproportionation
  • High pressure
  • Insulator-metal transition
  • Perovskite

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