Regensburg 2004 – scientific programme

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MA: Magnetismus

MA 4: Oberfl
ächenmagnetismus

MA 4.5: Talk

Monday, March 8, 2004, 11:15–11:30, H22

Ab initio study of the magnetic structure of fcc Fe grown on a Cu(001) substrate — •Bogdan Yavorsky and Ingrid Mertig — Fachbereich Physik, Martin-Luther-Universität Halle, Deutschland

First-principle total energy studies of Fe films on a Cu (001) substrate are presented. The films are modeled by symmetric 6Fe/8Cu/6Fe slabs. Both collinear and noncollinear magnetic configurations are considered. The effect of the surface relaxation on the total energy of the system is discussed. It was found that the energy difference between the favored collinear double-layered antiferromagnetic state and the noncollinear configurations is reduced by contraction of the Fe sublayer but still remains positive. The possibility of stable noncollinear magnetic configurations in the system is discussed.