Magnitude and Origin of the Band Gap in NiO

G. A. Sawatzky and J. W. Allen
Phys. Rev. Lett. 53, 2339 – Published 10 December 1984
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Abstract

Photoemission and bremsstrahlung-isochromat-spectroscopy data on a cleaved NiO single crystal are presented and compared to band- and cluster-theory predictions. In contrast to band-theory predictions the band gap is found to be large but not determined solely by the even larger dd Coulomb interactions so that NiO is not a Mott-Hubbard insulator in the simplest sense. A large dd interaction need not prevent NiS from being a metal.

  • Received 5 July 1984

DOI:https://doi.org/10.1103/PhysRevLett.53.2339

©1984 American Physical Society

Authors & Affiliations

G. A. Sawatzky* and J. W. Allen

  • Xerox Palo Alto Research Center, Palo Alto, California 94304

  • *Permanent address: Physical Chemistry Laboratory of the Material Science Center, University of Groningen, 9747-AG Groningen, The Netherlands.

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Vol. 53, Iss. 24 — 10 December 1984

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