Simulating the fabrication of a silicon-based quantum computer: Molecular dynamics calculations of ion implantation

Molecular dynamics calculations are used to explore the feasibility of ion implantation as a means to construct phosphorus quantum bits in a silicon-based quantum computing device. The simulations employ the recently developed Environment Dependent Interaction Potential which describes bonded interactions more accurately and efficiently than comparable empirical methods. Implantation events with energies of 1 keV are considered, and the evolution of the damage cascade is followed. Transient enhanced diffusion during the post-implantation annealing cycle is small, but significant. Other diffusive processes associated with the silicon self-interstitial are also in close agreement with highly accurate quantum mechanical calculations.