Detailed modeling of three-dimensional chemical vapor deposition

In this paper we investigate computationally a metalorganic chemical vapor deposition reactor. Our model combines a three-dimensional solution of the coupled Navier-Stokes/energy equations in a vorticity-velocity form, new and accurate multicomponent transport algorithms, and detailed finite rate chemistry in the gas phase and on the crystal surface. We apply a modified Newton method along with efficient Jacobian evaluation and linear algebra procedures in order to obtain a numerical solution. The present study focuses primarily on film uniformity and carbon incorporation levels. Our numerical results show the critical importance of transport modeling for an accurate description of the growth process. Furthermore, three growth regimes arise as a function of susceptor temperature: a kinetics-controlled regime at low temperatures, a diffusion-controlled regime at intermediate temperatures, and a desorption-controlled regime at high temperatures. These results are further supported by a sensitivity analysis with respect to both gas phase and surface chemistry.