Fundamental Research in Plasma Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon and Nanocystalline Silicon Films from SiH4/H2/Ar Discharges

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9713280 Aydil This project combines an integrated theoretical and experimental approach to the systematic investigation of effects of plasma processing conditions on the structure and properties of a-Si:H and nc-Si:H films during PECVD from SiH4/H2/Ar glow discharges. The project aims at obtaining fundamental information regarding key internal plasma variables that determine film properties, such as crystallinity, crystal size, hydrogen content, and defect density. The goal is to elucidate how deposited film properties are affected by the identity and flux of chemically reactive molecular fragments and ions arriving at the film surface. Atomic-scale computer simulations will be employed to study the interaction of radicals and molecular fragments (e.g., SiH, SiH2, SiH3, H) from the plasma with the film surface. Molecular-dynamics, molecular-statics, lattice-dynamics, and Monte Carlo simulators based on recently developed interatomic potential-energy functions, will be used to study plasma-surface interactions. Also, hybrid off-lattice kinetic Monte Carlo simulations will be used for full-scale dynamical simulations of the deposition process over realistic time scales for a range of processing conditions. Results of computer simulations will be compared with experimental data and the insights gained from the simulations used to guide new experimental studies and design new deposition strategies. %%% This research activity cuts across traditional boundaries between different disciplines including physics, chemistry, engineering, and materials science to address forefront issues in a field with high technological relevance. The nature of the research also provides an effective mechanism for educating students and postdoctoral scholars in addressing technologically important research problems using an integrated experimental and theoretical approach. The research will contribute basic plasma and materials science knowledge at a fundamental level to several aspects of advanced electronic/photonic devices and integrated circuitry. ***