Three-dimensional Monte Carlo simulation of ion implantation

A physically-based 3-dimensional Monte-Carlo simulator has been developed within UT-MARLOWE, which is capable of simulating ion implantation into multi-material systems and arbitrary topography. Introducing the third dimension can result in a severe CPU time penalty. In order to minimize this penalty, a three-dimensional trajectory replication algorithm has been developed, implemented and verified. More than two orders of magnitude savings of CPU time has been observed. An unbalanced Octree structure was used to decompose three-dimensional structures. It effectively simplifies the structure, and offers a good balance between modeling accuracy and computational efficiency. This simulator was also extensively verified by comparing the integrated one-dimensional simulation results with Secondary Ion Mass Spectroscopy (SIMS).