Exchange interactions in NiO and at the NiO(100) surface

  title={Exchange interactions in NiO and at the NiO(100) surface},
  author={Diemo Koedderitzsch and Wolfram Hergert and Walter M. Temmerman and Zdzislawa Szotek and Arthur Ernst and H. Winter},
INFP, Forschungszentrum Karlsruhe GmbH, Postfach 3640, D-76021 Karlsruhe, Germany~Received 23 April 2002; published 30 August 2002!The electronic and magnetic structure of bulk NiO and the NiO~100! surface is calculated using density-functional theory ~DFT! in the local-spin-density~LSD! approximation including self-interaction corrections.We calculate the exchange coupling constants in bulk NiO and at the NiO~100! surface and show that in thecase of bulk they agree better with experiment than… CONTINUE READING


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