Regensburg 2007 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 4: Electron Theory of Magnetism
MA 4.12: Vortrag
Montag, 26. März 2007, 13:00–13:15, H23
Orbital magnetism in UN and UT2Si2 compounds — •Carsten Neise, Mahdi Sargolzaei, Klaus Koepernik, Ingo Opahle, Manuel Richter, and Helmut Eschrig — IFW Dresden, P.O.B. 270016,D-01171 Dresden Germany
Usually orbital moments are underestimated in spin polarized relativistic density functional calculations. To get rid of this problem, so-called orbital polarisation (OP) corrections were introduced first in [1] and later derived in a slightly different form in [2].
In this work OP corrections have been applied for UN compound and UT2Si2 compounds, where T is (Co,Cu,Cr,Fe,Mn,Ni,Os,Pd,Rh,Ru), with a focus on the orbital moment. The results of the individual atomic moments in these compounds will be compared with available experimental data and calculations in literature.
[1] O. Eriksson, M.S.S. Brooks and B. Johansson, Phys. Rev. B 41 (1990), 7311-7314
[2] H. Eschrig, M. Sargolzaei, K. Koepernik and M. Richter, Europhys. Lett. 72 (2005), 611-617