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

Abstract

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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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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