Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds

In this paper, results of ab initio band structure calculations for A 2 BC Heusler compounds that have A and B sites occupied by transition metals and C by a main group element are presented.This class of materials includes some interesting half-metallic and ferromagnetic properties.The calculations have been performed in order to understand the properties of the minority band gap, the peculiar transport properties and magnetic behaviour found in these materials.Among the interesting aspects of the electronic structure of the materials are the contributions from both A and B atoms to the total magnetic moment.The magnitude of the total magnetic moment shows a trend consistent with the Slater-Pauling type…

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  Deutsche Forschungsgemeinschaft