JETP Letters

, Volume 91, Issue 9, pp 486–489 | Cite as

Ab initio investigation of uranium monochalcogenides

  • A. O. Shorikov
  • J. E. Medvedeva
  • A. I. Poteryaev
  • V. V. Mazurenko
  • V. I. Anisimov
Condensed Matter


We present ab initio investigation of the electronic structure and magnetic properties of uranium monochal-cogenides: US, USe, UTe. The calculations were performed by using the recently developed LDA+U+SO method in which both Coulomb and spin-orbit interactions have been taken into account in rotationally invariant form. We discuss the problem of choice of the Coulomb interaction value. The calculated [111] easy axes agree with those experimentally observed. The electronic configuration 5f 3 was found for all uranium compounds under investigation.


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  1. 1.
    W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).CrossRefMathSciNetADSGoogle Scholar
  2. 2.
    K. Terakura, T. Oguchi, A. R. Williams and J. Kübler, Phys. Rev. B 30, 4734 (1984).CrossRefADSGoogle Scholar
  3. 3.
    M. Singh, J. Callaway, and C. S. Wang, Phys. Rev. B 14,1214 (1976).CrossRefADSGoogle Scholar
  4. 4.
    C. T. Chen, Y. U. Idzera, H.-J. Lin, et al., Phys. Rev. Lett. 75, 152 (1995).CrossRefADSGoogle Scholar
  5. 5.
    A. O. Shorikov, A. V. Lukoyanov, M. A. Korotin, and V. I. Anisimov, Phys Rev. B 72, 024458 (2005).CrossRefADSGoogle Scholar
  6. 6.
    A. B. Shick and A. I. Lichtenstein, J. Phys.: Cond. Matter. 20, 015002 (2008).CrossRefADSGoogle Scholar
  7. 7.
    T. Shishidou and T. Oguchi, Phys Rev. B 59, 6813 (1999).CrossRefADSGoogle Scholar
  8. 8.
    G. Busch, O. Vogt, A. Delpalme, and G. H. Lander, J. Phys. C 12, 1391 (1979).CrossRefADSGoogle Scholar
  9. 9.
    J.-M. Fournier and R. Troc, Handbook on the Physics and Chemistry of the Actinides, Ed. by A. J. Freeman and G. H. Lande (North-Holland, Amsterdam, 1985).Google Scholar
  10. 10.
    D. L. Twillick and P. de V. du Plessis, J. Magn. Magn. Mater. 3, 329 (1976).CrossRefADSGoogle Scholar
  11. 11.
    T. Kraft, P. M. Oppener, V. N. Antonov, and H. Eschrig, Phys. Rev. B 52, 3561 (1995).CrossRefADSGoogle Scholar
  12. 12.
    O. K. Andersen, Phys. Rev. B 12, 3060 (1975).CrossRefADSGoogle Scholar
  13. 13.
    O. Gunnarsson, O. K. Andersen, O. Jepsen, and J. Zaanen, Phys. Rev. B 39, 1708 (1989).CrossRefADSGoogle Scholar
  14. 14.
    G. Busch and O. Vogt, J. Less-Common Met. 62, 335 (1978).CrossRefGoogle Scholar
  15. 15.
    F. A. Wedgwood, J. Phys. C 5, 2427 (1972).CrossRefADSGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2010

Authors and Affiliations

  • A. O. Shorikov
    • 1
  • J. E. Medvedeva
    • 2
  • A. I. Poteryaev
    • 1
  • V. V. Mazurenko
    • 3
  • V. I. Anisimov
    • 1
  1. 1.Institute of Metal PhysicsRussian Academy of SciencesYekaterinburgRussia
  2. 2.Department of PhysicsMissouri S & TRollaUSA
  3. 3.Department of Theoretical Physics and Applied MathematicUral State Technical UniversityYekaterinburgRussia

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