Numerical Simulations to Study Growth of Single-Crystal Diamond by Using Microwave Plasma Chemical Vapor Deposition with Reactive (H, C, N) Species

摘要

A model of microwave plasma chemical vapor deposition for the growth of diamond crystals has been developed. The model focuses on the characteristics of bulk plasma, while atomic-scale simulation is also utilized to determine the boundary conditions of heavier species. In comparison with recent numerical studies of microwave plasma chemical vapor depositions by several groups, the present model places emphasis on the treatment of chemistry among reactive (H, C, N) species as well as the dynamics of species under practical configuration, i.e., configuration close to an actual apparatus, where the governing equations are reduced to be as simple as possible under acceptable assumptions. Results are consistent with several preceding reports. This suggests the validity of the assumptions. The two-dimensional distributions of not only the various hydrocarbon species but also the nitrogen-related species are shown for the first time under the practical configuration.