Relativistic band-structure calculations for electronic properties of actinide dioxides

https://doi.org/10.1016/j.jmmm.2006.10.127Get rights and content

Abstract

Energy band structures of actinide dioxides AnO2 (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange–correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO2.

References (14)

  • P. Erdös

    Physica

    (1980)
  • E.F. Westrum,

    J. Chem. Phys.

    (1953)
  • J.W. Ross et al.

    J. Appl. Phys.

    (1967)
  • P. Santini et al.

    Phys. Rev. Lett.

    (2000)
    P. Santini et al.

    J. Phys. Soc. Japan

    (2002)
  • J.A. Paixão

    Phys. Rev. Lett.

    (2002)
    R. Caciuffo

    J. Phys. Condens. Matter

    (2003)
  • S.W. Lovesey

    J. Phys. Condens. Matter

    (2003)
  • A. Kiss et al.

    Phys. Rev. B

    (2003)
There are more references available in the full text version of this article.

Cited by (0)

View full text