Simulation of Rarefied Gas Transport and Profile Evolution in Nonplanar Substrate Chemical Vapor Deposition

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Abstract
A simulation model is presented for nonplanar CVD over device feature scale structures. The direct simulation Monte Carlo method is used to describe the rarefied gas transport in a localized region above the feature. A new approach is outlined to simulate the evolution of the film profile which provides dynamic step‐coverage performance and microstructural detail of the growing film. The method allows simulations of nonequilibrium effects resulting from rarefaction of the gas above surface features. Results of a parametric study are presented for deposition within a long narrow trench and a cylindrical contact hole. The parameters investigated include the reactive sticking coefficient, the surface mobility of the adsorbed reactants, the Knudsen number (the ratio of the mean‐free path to the feature scale), the feature aspect ratio and feature geometry. A sample calculation is presented for deposition over a square hole structure to demonstrate the extension to realistic three‐dimensional structures.

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