It was noted theoretical studies of intermetallic compounds favored a particular sub-lattice for thermal vacancy formation. In the present study, thermal vacancies with a low formation enthalpy of 1.6eV were detected in ordered MoSi2. It was shown, by experimental and theoretical work, that they formed preferentially on the Si sub-lattice. From these data, self-diffusion in MoSi2 could be understood.

Formation of Thermal Vacancies on the Si Sub-Lattice of the Intermetallic Compound, MoSi2. X.Y.Zhang, W.Sprengel, T.E.Staab, H.Inui, H.E.Schaefer: Physical Review Letters, 2004, 92[15], 155502 (3pp)