Theoretical investigation of the local lattice structure of Cr~(2+) ion at tetragonal sites in GaAs semiconductor

摘要

An analyses of the relationship between the experimental zero-field splitting (ZFS) parameters D, a, F and the local lattice structure of Cr~(2+) ion located at tetragonal site in GaAs semiconductor is presented on the basis of the complete energy matrix for the d~4 configuration in a tetragonal ligand-field within strong-field representation. Our results show that there exists an expansion distortion in the local lattice structure. From our calculations, the distortion parameters DELTA R=0.045 A and DELTA theta=2.53° for GaAs:Cr~(2+) system are determined.