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

Author(s)
S. L. Dudarev, P. Liu, D. A. Andersson, C. R. Stanek, T. Ozaki, C. Franchini
Organisation(s)
Computational Materials Physics
Journal
Physical Review Materials
Volume
3
No. of pages
14
ISSN
2475-9953
DOI
https://doi.org/10.1103/PhysRevMaterials.3.083802
Publication date
08-2019
Publication status
Published
Peer reviewed
Yes
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
Portal url
https://ucris.univie.ac.at/portal/en/publications/parametrization-of-lsda-plus-u-for-noncollinear-magnetic-configurations-multipolar-magnetism-in-uo2(0f59cff5-b6ef-4623-9f84-d5ce70bef01d).html