It was noted that control of the diffusion of a specific impurity species was desirable in Si device processing. Infra-red laser excitation matching of the impurity vibration mode was a promising method for this purpose. In order to illustrate the effectiveness of this method, first-principles molecular dynamics simulations were used. Technical aspects of the simulation were described in detail. It was seen that resonant effects could be reproduced in adiabatic molecular dynamics simulations by applying an external force only on the impurity.

Control of Impurity Diffusion in Silicon by IR Laser Excitation. K.Shirai, H.Yamaguchi, H.Katayama-Yoshida: Journal of Physics - Condensed Matter, 2007, 19[36], 365207 (7pp)