Electronic structure of gamma-iron

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Abstract The embedded cluster model in self-consistent electronic structure calculations was used within the formalism of the Discrete Variational Method (DVM) to investigate the electronic structure of gamma-iron (fcc). The density of states, magnetic moment, isomer shift and hyperfine magnetic field were obtained for the central atom of the cluster. We obtained an internal field of about 60 kG, an isomer shift of about 0.14 mm / s and a magnetic moment of about 0.70μ B for gamma-iron at 0 K. We also investigated the effect on the magnetic properties as the lattice spacing is reduced.