Valence Controls and COdoping for Low-Resistivity n-type Diamond by ab initio molecular-Dynamics Simulation

摘要

Based upon ab initio molecular dynamics simulation, we have proposed a new valence control method, "a codoping method", in order to fabricate a low-resistivity n-type diamond. We calculated the stable atomic configuration and electronic structure ofthe codoping of n-and p-type dopants. We found that the codoping of nitrogen and boron is the best candidate ot make the lowresistivity n-type diamond. We discuss the universality of codoping method for valence control in wide band gap semicondutros.