Control of impurity diffusion in silicon by IR laser excitation

Control of the diffusion of a specific impurity species is desirable in Si device processes. IR laser excitation matching the impurity vibration mode is a promising method for this purpose. To illustrate the effectiveness of this method, first-principles molecular dynamics simulation has been applied. Technical issues of the simulation are described in detail. It is seen that resonant effects can be reproduced in adiabatic molecular dynamics simulations by applying an external force on the impurity only. The present study forms the basis for further developments of this approach.