Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO2

S. L. Dudarev (Corresponding author), P. Liu, D. A. Andersson, C. R. Stanek, T. Ozaki, C. Franchini

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number083802
Number of pages14
JournalPhysical Review Materials
Volume3
Issue number8
DOIs
Publication statusPublished - 19 Aug 2019

Austrian Fields of Science 2012

  • 103018 Materials physics

Keywords

  • DENSITY-FUNCTIONAL THEORY
  • SPIN-LATTICE INTERACTION
  • ELECTRONIC-STRUCTURE
  • NEUTRON-DIFFRACTION
  • STRUCTURAL STABILITY
  • MOLECULAR-DYNAMICS
  • ANTIFERROMAGNETISM
  • SPECTRA
  • SYSTEMS
  • SURFACE

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