Density functional theory calculations on magnetic properties of actinide compounds
Abstract
We have performed a detailed analysis of the magnetic (collinear and non-collinear) order and the atomic and electron structures of UO2, PuO2 and
* Corresponding authors
a
European Commission, Joint Research Centre, Institute for Transuranim Elements, Postfach 2340, Karlsruhe, Germany
E-mail:
EHeif5719@sbcglobal.net
b
Institute for Solid State Physics, University of Latvia, Kengaraga 8, Riga, Latvia
E-mail:
gryaznov@mail.com
c
Institute of Chemical Technology, Technicka 5, 16628 Prague, Czech Republic
E-mail:
David.Sedmidubsky@vscht.cz
We have performed a detailed analysis of the magnetic (collinear and non-collinear) order and the atomic and electron structures of UO2, PuO2 and
D. Gryaznov, E. Heifets and D. Sedmidubsky, Phys. Chem. Chem. Phys., 2010, 12, 12273 DOI: 10.1039/C0CP00372G
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