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

Kinetic Monte Carlo (KMC) Modeling for Boron Diffusion in Strained Silicon. Y.K.Kim, K.S.Yoon, J.S.Kim, T.Won: Journal of the Korean Physical Society, 2007, 50[6], 1656-61. See also: Japanese Journal of Applied Physics – 1, 2007, 46[4B], 2519-22