Kinetic Monte Carlo (KMC) Modeling for Boron Diffusion in Strained Silicon

We discuss boron diffusion in biaxial tensile strained $\{$001$\}$ Si layer by using a kinetic Monte Carlo (KMC) method. In order to perform a theoretical analysis, we created strain in silicon by adding a germanium mole fraction to the silicon. The generation of strain in silicon influences the diffusivity, as well as the penetration profile during the implantation. The strain energy of the charged defects was calculated using and {\it ab-initio} calculation whereas the diffusivity of boron was extracted from the Arrhenius formula. Hereby, the influence of the germanium content on the dopant diffusivity was estimated. Our KMC study revealed that the diffusion of B atoms was retarded with increasing germanium mole fraction in the strained silicon layer. Furthermore, we derived the functional dependence of the in-plane strain, as well as the out-of-plane strain, on the germanium mole fraction, which is based on the distribution of equivalent stress along the Si/SiGe interface. KCI Citation Count: 2