Boron diffusion in a biaxial tensile-strained {001} Si and SiGe layer was analyzed by using the kinetic Monte Carlo method. Strain was created in the Si by adding a mole fraction of Ge to the Si in order to perform a theoretical analysis. The generation of strain in Si influenced the diffusivity as well as the penetration profile during implantation. The strain energy of the charged defects was calculated using ab initio calculations whereas the diffusivity of B was extracted from the Arrhenius formula. Thus, the influence of the Ge content upon the dopant diffusivity was estimated. The kinetic Monte Carlo study revealed that the diffusion of the B atoms was retarded with increasing Ge mole fraction in the strained Si layer. Furthermore, the functional dependence of the in-plane strain was derived, as well as the out-of-plane strain on the Ge mole fraction, which was based upon the distribution of equivalent stress along the Si/SiGe interface.

Kinetic Monte Carlo Modeling of Boron Diffusion in Strained Silicon. Y.K.Kim, K.S.Yoon, J.S.Kim, T.Won: Japanese Journal of Applied Physics, 2007, 46[4B], 2519-22