Electronic properties of transition-metal oxides under high pressure revealed by x-ray emission spectroscopy

J. P. Rueff, A. Mattila, J. Badro, G. Vankó, A. Shukla

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

The high-pressure electronic and magnetic properties of MnO, CoO and NiO have been investigated by x-ray emission spectroscopy. Both MnO and CoO show a magnetic collapse revealed by the abrupt decrease of the satellite intensity in the metal Kβ emission lines at about 80 and 100 GPa respectively. The magnetic transition pressures agree well with the known structural transition pressures in these systems. No such magnetic transition was observed in NiO, which rather shows hints of delocalization of the d electrons. The NiO data have been further analysed within a full multiplet approach. The low- and high-pressure emission spectra could be reproduced well. The confrontation between theory and experiment gives a handle on fundamental quantities such as the electron correlation strength, hybridization and charge transfer energy, introduced in the calculations as parameters. Both theoretical and experimental clues indicate that NiO is on the verge of a metal-insulator transition. In MnO and CoO, the magnetic transition is likely to arise from the interplay between the ligand field and the O p bandwidth.

Original languageEnglish
JournalJournal of Physics Condensed Matter
Volume17
Issue number11
DOIs
Publication statusPublished - Mar 23 2005

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Emission spectroscopy
Electronic properties
Oxides
Transition metals
metal oxides
transition pressure
transition metals
X rays
electronics
spectroscopy
x rays
metals
emission spectra
electrons
low pressure
Electron correlations
fine structure
charge transfer
Metal insulator transition
insulators

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

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Electronic properties of transition-metal oxides under high pressure revealed by x-ray emission spectroscopy. / Rueff, J. P.; Mattila, A.; Badro, J.; Vankó, G.; Shukla, A.

In: Journal of Physics Condensed Matter, Vol. 17, No. 11, 23.03.2005.

Research output: Contribution to journalArticle

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abstract = "The high-pressure electronic and magnetic properties of MnO, CoO and NiO have been investigated by x-ray emission spectroscopy. Both MnO and CoO show a magnetic collapse revealed by the abrupt decrease of the satellite intensity in the metal Kβ emission lines at about 80 and 100 GPa respectively. The magnetic transition pressures agree well with the known structural transition pressures in these systems. No such magnetic transition was observed in NiO, which rather shows hints of delocalization of the d electrons. The NiO data have been further analysed within a full multiplet approach. The low- and high-pressure emission spectra could be reproduced well. The confrontation between theory and experiment gives a handle on fundamental quantities such as the electron correlation strength, hybridization and charge transfer energy, introduced in the calculations as parameters. Both theoretical and experimental clues indicate that NiO is on the verge of a metal-insulator transition. In MnO and CoO, the magnetic transition is likely to arise from the interplay between the ligand field and the O p bandwidth.",
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N2 - The high-pressure electronic and magnetic properties of MnO, CoO and NiO have been investigated by x-ray emission spectroscopy. Both MnO and CoO show a magnetic collapse revealed by the abrupt decrease of the satellite intensity in the metal Kβ emission lines at about 80 and 100 GPa respectively. The magnetic transition pressures agree well with the known structural transition pressures in these systems. No such magnetic transition was observed in NiO, which rather shows hints of delocalization of the d electrons. The NiO data have been further analysed within a full multiplet approach. The low- and high-pressure emission spectra could be reproduced well. The confrontation between theory and experiment gives a handle on fundamental quantities such as the electron correlation strength, hybridization and charge transfer energy, introduced in the calculations as parameters. Both theoretical and experimental clues indicate that NiO is on the verge of a metal-insulator transition. In MnO and CoO, the magnetic transition is likely to arise from the interplay between the ligand field and the O p bandwidth.

AB - The high-pressure electronic and magnetic properties of MnO, CoO and NiO have been investigated by x-ray emission spectroscopy. Both MnO and CoO show a magnetic collapse revealed by the abrupt decrease of the satellite intensity in the metal Kβ emission lines at about 80 and 100 GPa respectively. The magnetic transition pressures agree well with the known structural transition pressures in these systems. No such magnetic transition was observed in NiO, which rather shows hints of delocalization of the d electrons. The NiO data have been further analysed within a full multiplet approach. The low- and high-pressure emission spectra could be reproduced well. The confrontation between theory and experiment gives a handle on fundamental quantities such as the electron correlation strength, hybridization and charge transfer energy, introduced in the calculations as parameters. Both theoretical and experimental clues indicate that NiO is on the verge of a metal-insulator transition. In MnO and CoO, the magnetic transition is likely to arise from the interplay between the ligand field and the O p bandwidth.

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