The electronic band structure of V3Ga. II

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Abstract
A tight binding calculation of the band structure of V3Ga is performed. The 3d band of the vanadiums, and 4s and 4p bands of the gallium are considered. The energy levels, the density of states, and the wavefunctions are calculated. The energy levels at high-symmetry points are compared with those calculated previously by Mattheiss by the APW method, and agreement to within 50 mRyd is found. The structure of a peak in the density of states function, due to the delta 2(ml=+or-2;dxy) band with Kz approximately=O, which has previously been identified with the peak proposed by Clogston and Jaccarino (1961) is investigated in some detail. The question whether the sigma (ml=O,dz2) band has a planar Fermi surface is also investigated and found to depend critically upon the exact degree of hybridization with the Ga 4P band.