Electronic structure and ordering of sp defects in transition metals

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Abstract
Summarises the present knowledge about electronic structure and order in carbon-transition metal (Fe, Co, Ni) interstitial alloys. The electronic structure of carbon atoms in a ferromagnetic transition metal is computed in a Hartree-Fock scheme taking full account of the Friedel sum rule. Taking into account an extended perturbation up to second-nearest neighbours, reasonable agreement with saturation magnetisation and hyperfine fields can be found. The electronic binding energy of a carbon atom with another point defect is estimated. A strong anisotropy of the electronic binding energy of a carbon pair in alpha iron is found.