Bonding in GaAs

Abstract

Experimental measurements of structure factors in GaAs have been compared with the results of ab initio calculations by the pseudopotential method. We measure the charge in the bond from charge-density maps to be 0.071 electron, in good agreement with theory. The measurements were obtained by an electron-diffraction technique which can be applied to submicron crystals, thus greatly extending the range of materials for which structure factors can be measured, and theoretical calculations tested.