The charge density in zincblende semiconductors

Abstract
Characteristic plots of the real space densities are presented for diamond and zincblende semiconductors. A comparison is made between the valence distribution and the results of linear screening theory. The charge densities are decomposed into covalent and noncovalent contributions and the bond charges calculated. The charge transfer is investigated and it is found that the bonding in III-V compounds is between neutral and covalent. The Fourier components of the valence charge densities are tabulated.