Pressure and Stress Effects on Diffusion in Si

The thermodynamics of diffusion under hydrostatic pressure and nonhydrostatic stress is presented for single crystals free of extended defects. The thermodynamic relationships obtained permit the direct comparison of hydrostatic and biaxial stress experiments and of atomistic calculations under hydrostatic stress for any proposed mechanism. Atomistic calculations of the volume changes upon point defect formation and migration, and experiments on the effects of pressure and stress on the diffusivity, are reviewed. For Sb in Si, using as input the results of ab initio calculations of the effect of hydrostatic pressure on diffusion by the vacancy mechanism, the thermodynamic relationships successfully account for the measured effect of biaxial stress on diffusion with no free parameters. For other cases, missing parameters are enumerated and experimental and calculational procedures outlined.