Abstract
First-principle total energy studies of $\mathrm{Fe}$ films on a $\mathrm{Cu}(001)$ substrate are presented. The films are modeled by symmetric $6\mathrm{Fe}∕8\mathrm{Cu}∕6\mathrm{Fe}$ 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 noncollinear configurations and the favored collinear double-layered antiferromagnetic state is reduced by contraction of the $\mathrm{Fe}$ sublayer but still remains positive. The possibility of stable noncollinear magnetic configurations in the system is discussed.
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