Electronic structure and fourier transformed compton profiles of crystalline semiconductors

Model calculations for the Fourier transformed Compton profiles of tetrahedrally coordinated semiconductors are presented based on the Weaire-Thorpe model Hamiltonian and Gaussian LCAO ansatz functions. The results show that the information content of Compton profiles is complementary to that of the density of states. They are almost independent of parameters in the Hamiltonian and depend only on the shape of the ansatz functions. The position of the zeroes of the Fourier transformed Compton profile are seen to be determined by the Bravais lattice structure and the number of valence electrons in the unit cell.