Regensburg 2004 – scientific programme

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MA: Magnetismus

MA 8: Elektronentheorie

MA 8.9: Talk

Monday, March 8, 2004, 17:45–18:00, H22

Structure and Magnetism of Light Actinides and Their Compounds: Theorie — •Manuel Richter, Ingo Opahle, Ulrike Nitzsche, Klaus Koepernik, and Helmut Eschrig — IFW Dresden, PF 270116, D-01171 Dresden

Structural and magnetic properties of actinides and actinide compounds are much influenced by spin-orbit interaction and other relativistic effects. By means of the recently developed fully relativistic full-potential local-orbital (R-FPLO, [1]) scheme, we have evaluated equilibrium volume, bulk modulus, and structural energies of light actinide metals in the framwork of the local density approximation. In particular, we find evidence for the existence of a hexagonal Uranium phase in thin films on W(110) and for the possible existence of cubic Protactinium. Using the local spin density approximation with orbital polarization corrections, the magnetic properties of cubic Uranium Sulfide are investigated.

[1] http://www.ifw-dresden.de/FPLO/