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Phase transitions and spin state of iron in FeO under the conditions of Earth's deep interior

E. Greenberg1,*,†, R. Nazarov2,*, A. Landa2, J. Ying3,4, R. Q. Hood2, B. Hen5, R. Jeanloz6, V. B. Prakapenka1, V. V. Struzhkin7 et al.

G. Kh. Rozenberg5 and I. V. Leonov8,9,10

  • 1Center for Advanced Radiation Sources, University of Chicago, 5640 South Ellis Avenue, Chicago, Illinois 60637, USA
  • 2Physics Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94551, USA
  • 3Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, USA
  • 4Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China
  • 5Raymond and Beverly Sackler School of Physics and Astronomy, Tel-Aviv University, Tel Aviv 69978, Israel
  • 6Departments of Earth and Planetary Science and Astronomy, and Miller Institute for Basic Research in Science, University of California, Berkeley, California 94720, USA
  • 7Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China
  • 8M.N. Miheev Institute of Metal Physics, Russian Academy of Sciences, 620108 Yekaterinburg, Russia
  • 9Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg, Russia
  • 10Skolkovo Institute of Science and Technology, 143026 Moscow, Russia

  • *These authors contributed equally to this work.
  • †Present address: Applied Physics Division, Soreq NRC, Yavne, 81800, Israel; Corresponding author: erangre@gmail.com
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Phys. Rev. B 107, L241103 – Published 12 June, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L241103

Abstract

Iron-bearing oxides undergo a series of pressure-induced electronic, spin, and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle and outer core. We employ x-ray diffraction and x-ray emission spectroscopy along with density-functional theory+dynamical mean-field theory calculations to characterize the electronic structure and spin states, and crystal-structural properties of wüstite (Fe1−xO)–a basic oxide component of Earth's interior–at high pressure-temperature conditions up to 140 GPa and 2100 K. We find that FeO exhibits complex polymorphism under pressure, with abnormal compression behavior associated with electron-spin and crystallographic phase transitions, and resulting in a substantial change of bulk modulus. Our results reveal the existence of a high-pressure phase characterized by a metallic high-spin state of iron at the pressure-temperature conditions near to those of Earth's core-mantle boundary. The presence of high-spin metallic iron near the mantle can significantly influence the geophysical and geochemical properties of Earth's deep interior.

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Phys. Rev. B 107, L241103– Published 12 June, 2023
  • Received 17 March 2023
  • Revised 15 May 2023
  • Accepted 25 May 2023
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