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NiO: A Charge Transfer or Mott-Hubbard Insulator



T M. Schuler, D L. Ederer, S Itza-Ortiz, G T. Woods, T A. Callcott, Joseph Woicik


Using site-specific soft x-ray emission and absoroption spectroscopy in conjunction with site-specific x-ray photoelectron spectroscopy, we measure the magnitude of the insulating band gap of NiO to be approximately 2.0 eV, comparable to that predicted by our density-functional theory calculations, and note that the insulating character of NiO arises from a mixture of charge-transfer and Mott-Hubbard character corresponding to the Zaanen-Sawatsky-Allen model.
Physical Review Letters


Density of states (DOS), Mott-Hubbard, Ni 3d, NiO


Schuler, T. , Ederer, D. , Itza-Ortiz, S. , Woods, G. , Callcott, T. and Woicik, J. (2021), NiO: A Charge Transfer or Mott-Hubbard Insulator, Physical Review Letters (Accessed June 23, 2024)


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Created October 12, 2021