Electronic Structure of Rare Earth Oxides

  title={Electronic Structure of Rare Earth Oxides},
  author={L. A. Petit and Axel Svane and Zdzislawa Szotek and Walter M. Temmerman},
The electronic structures of dioxides, REO{sub 2}, and sesquioxides, RE{sub 2}O{sub 3}, of the rare earths, RE = Ce, Pr, Nd,Pm, Sm,Eu, Gd,Tb, Dy and Ho, are calculated with the self-interaction-corrected local-spin-density approximation. The valencies of the rare earth ions are determined from total-energy minimization. Ce, Pr, and Tb are found to have tetravalent configurations in their dioxides, while for all the sesquioxides the trivalent ground-state configuration is most favourable… CONTINUE READING


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