Transition-Metal Monoxides: Band or Mott Insulators

K. Terakura, A. R. Williams, T. Oguchi, and J. Kübler
Phys. Rev. Lett. 52, 1830 – Published 14 May 1984
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Abstract

We argue that the widely held view that MnO, FeO, CoO, and NiO are Mott insulators is incorrect. Intra-atomic potential energies do not dominate interatomic kinetic energies, to the extent commonly believed; both are 1-2 eV in magnitude. A measure of the importance of interatomic effects is our finding that both the crystal structure and the magnetic structure of these materials are crucial to their insulating behavior.

  • Received 24 February 1984

DOI:https://doi.org/10.1103/PhysRevLett.52.1830

©1984 American Physical Society

Authors & Affiliations

K. Terakura* and A. R. Williams

  • IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598

T. Oguchi

  • Institute for Solid State Physics, The University of Tokyo, Roppongi, Minato-ku, Tokyo, Japan

J. Kübler

  • Fachgebiet Theoretische Physik, Institut für Festkörperphysik, D-6100 Darmstadt, West Germany

  • *Permanent address: Institute for Solid State Physics, University of Tokyo, Roppongi, Minato-ku, Tokyo, Japan.

Comments & Replies

Electronic Structure of NiO

R. Merlin
Phys. Rev. Lett. 54, 2727 (1985)

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Vol. 52, Iss. 20 — 14 May 1984

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