Electron density distribution in GaAs using MEM Original Research Article

Electron density distribution of GaAs is determined by means of the maximum entropy method (MEM) using reasonably good X-ray data collected at room temperature and 200 K. The bonding electron distributions are clearly visible in the MEM map and the mixed covalent–ionic character in GaAs is evidenced. The density distributions at 200 K show more condensed electronic clouds as compared to the room temperature map, preserving the trend in the bonding characters. The electron densities at the middle of the bond are 0.79 and 0.70 e/Å3 at 200 K and at room temperature, respectively. The refined harmonic thermal factors are in good agreement with the published values.