Charge carrier induced lattice strain and stress effects on As activation in Si

We studied lattice expansion coefficient due to As using density functional theory with particular attention to separating the impact of electrons and ions. Based on As deactivation mechanism under equilibrium conditions, the effect of stress on As activation is predicted. We find that biaxial stress results in minimal impact on As activation, which is consistent with experimental observations by Sugii et al. [J. Appl. Phys. 96, 261 (2004)] and Bennett et al.[J. Vac. Sci. Tech. B 26, 391 (2008)].