Bonding Electron Distribution of GaP, GaAs and GaSb

Abstract

Bonding electron distribution in GaP, GaAs and GaSb was investigated by the difference Fourier synthesis using structure factors obtained by X-ray diffraction from powder samples. As the 5th group atom becomes larger, a dε-like deformation becomes greater and a part of the deformed electron is added to the bonding electron, so that the number of covalent electrons becomes greater. This situation is supported by several linear relations obtained between a measure of the number of covalent electrons calculated from the difference Fourier maps and several material constants of the three crystals, such as effective charge obtained from infrared reflection, optical dielectric constants and polarizability of the 5th group atoms.