title: Formation of thermal vacancies on the Si sublattice of the intermetallic compound MoSi2.
abstract: For a detailed understanding of high-temperature processes in complex solids the identification of the sublattice on which thermal defects are formed is of basic interest. Theoretical studies in intermetallic compounds favor a particular sublattice for thermal vacancy formation. In the present study we detect in ordered MoSi2 thermal vacancies with a low formation enthalpy of H(F)(V)=(1.6+/-0.1) eV, and we succeed in showing by experimental and theoretical efforts that they are preferentially formed on the Si sublattice. By these data self-diffusion in MoSi2 can be understood.
authors.affiliation: Key Laboratory of Metastable Materials Science and Technology, Yanshan University, 066004 Qinhuangdao, China. xyzh66@yahoo.com.cn
authors.forename: X Y
authors.initials: XY
authors.lastname: Zhang
authors.forename: W
authors.initials: W
authors.lastname: Sprengel
authors.forename: T E M
authors.initials: TE
authors.lastname: Staab
authors.forename: H
authors.initials: H
authors.lastname: Inui
authors.forename: H-E
authors.initials: HE
authors.lastname: Schaefer