The electronic states in diamond

Abstract

An account of a method of performing a priori tight-binding calculations on a crystal lattice of the diamond type is given. The method is a generalization of that of Cohan et al. [8]. Certain possible extensions of the method are discussed. New results for the electronic energy bands in diamond are presented in which the variation of the bands with the hybridization parameter of the initial bonding orbitals and the orbital exponent of the basic atomic orbitals is investigated.