A localized orbital description of Ge and α‐Sn

Abstract In previous work an accurate description of the band structure and the valence electron pseudocharge density of Si is given in terms of a small set of well localized basis functions comprising only ten states of s, p, d, and f symmetry per atomic site. Now this work is extended to the case of Ge and α‐Sn and it is shown that this localized orbital approach also provides an excellent representation of the electronic structure of these other diamond elemental semiconductors. Moreover, the resulting basis functions are again very well localized about their respective lattice sites. The implications of this work in relation to semiconductor impurity problems are also briefly discussed.