An investigation was made, of the basic properties of F atoms, by using first-principles calculations. It was found that the -1 charge state was the most stable for a wide range of Fermi levels, and that the F atom preferred sites which were surrounded by group-III atoms. These characteristics were explained by recalling that F had the highest electronegativity. It was found that a F atom in the -1 charge state had a stability which was comparable to that of a F-Si defect complex in the present semiconductor.

Fluorine Atoms in AlAs, GaAs and InAs: Stable State, Diffusion and Carrier Passivation. A.Taguchi, T.Ohno, T.Sasaki: Physical Review B, 2000, 62[3], 1821-7