@article{SchifferleLobanov2022,
  author    = {Schifferle, Lukas and Lobanov, Sergey S.},
  title     = {Evolution of chemical bonding and spin-pairing energy in ferropericlase across Its spin transition},
  series = {ACS Earth and Space Chemistry},
  volume    = {6},
  journal   = {ACS Earth and Space Chemistry},
  number    = {3},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2472-3452},
  doi       = {10.1021/acsearthspacechem.2c00014},
  pages     = {788 -- 799},
  year      = {2022},
  abstract  = {The evolution of chemical bonding in ferropericlase, (Mg,Fe)O, with pressure may affect the physical and chemical properties of the Earth's lower mantle. Here, we report high-pressure optical absorption spectra of single-crystalline ferropericlase ((Mg0.87Fe0.13)O) up to 135 GPa. Combined with a re-evaluation of published partial fluorescence yield X-ray absorption spectroscopy data, we show that the covalency of the Fe-O bond increases with pressure, but the iron spin transition at 57-76.5 GPa reverses this trend. The qualitative crossover in chemical bonding suggests that the spin-pairing transition weakens the Fe-O bond in ferropericlase. We find, that the spin transition in ferropericlase is caused by both the increase of the ligand field-splitting energy and the decrease in the spin-pairing energy of high-spin Fe2+.},
  language  = {en}
}