Theory Department
Max Planck Institute of Microstructure Physics
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Kudrnovsky, J., Drchal, V., Turek, I., Bruno, P.

Exchange interactions in random magnetic overlayers
Surface Science 507-510, pp 567-572 (2002)
We have determined the effective exchange interactions in the random magnetic overlayers on a nonmagnetic substrate by a mapping of the accurate ab initio total energies onto a classical two-dimensional Heisenberg Hamiltonian. The electronic structure is determined within the tight-binding linear muffin-tin orbital method combined with the surface Green function technique while the effect of a disorder is included using the coherent potential approximation.We employ both the magnetic-force and the vertex-cancellation theorems to evaluate the concentration dependence on the overlayer exchange interactions. The formalism is applied to the magnetic overlayers on the fcc-Cu(001) substrate.

TH-2002-26