ELECTRON BAND STRUCTURE OF FACE-CENTRED CUBIC MANGANESE

A calculation of the electron energy bands in face-centred cubic γ-manganese arising from the 3d and 4s levels in the free atom has been carried out by the augmented plane wave method. The overall picture is of a nearly-free electron s band overlapping almost completely a d band of width 0·16 ryd. The width is small compared with those calculated for other face-centred cubic transition metals but the band has no pronounced dip and a value of 0·014 J mole-1 deg K-2 calculated for the electronic specific heat coefficient γ does not appear too large when compared with measurements for α- and β-Mn. ε(κ) curves, a density of states histogram and Fermi surface have been calculated but there is no experimental evidence for direct comparison with these.