Modeling of germanium and antimony diffusion in Si_1.xGe _x

Abstract

New models for vacancy-mediated diffusion in diamond lattice and Si 1-xGex were developed. The analytic formula for correlation factor of impurity diffusivity up to fifth nearest neighbor of the impurity was also obtained. Ge composition effect on impurity diffusion in Si1-xGex was modeled. The calibration of diffusivities of Ge and Sb in Si1-xGex were done and, for the first time, excellent agreement to Ge and Sb diffusion data was achieved. The method used in present paper can be extended to other structures and materials.