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We employ Green's function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to allow for the subsequent Green's function description. Electron⁻electron interactions, electron⁻phonon coupling, and disorder scattering are all taken into account (perturbatively) with a theory that involves a cluster extension of the coherent potential approximation.

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We report on the electronic structure and exchange interactions in the dilute magnetic semiconductors Zn(1-x)Cr(x)Se and Zn(1-x)Fe(x)Se. The exchange energies and densities of states were obtained using the layer Korringa-Kohn-Rostoker method and the coherent potential approximation. We find that the dominant exchange in all cases is the super-exchange mechanism, and it is found to be antiferromagnetic for Zn(1-x)Fe(x)Se at all concentrations.

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