Bandstructure of Mg and the effect of correlation

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Abstract
The detailed bandstructure of Mg having the HCP lattice structure has been calculated using the KKR method for the three different potentials Vs, VH and Vvs. The potential Vs includes only the exchange part through Slater's formula whereas the other two potentials VH and Vvs include exchange as well as correlation. The energy bands, density of states, electronic specific heat, magnetic susceptibility and Fermi surface cross sections are calculated for all the three potentials and compared with the experimental data. The results show that the potentials which include both exchange and correlation are in better agreement with the experimental values. However the results obtained with the potential Vs may still be considered reliable and do not lead to any violent disagreement with the experimental values.

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