Advanced atomic-scale simulation of silicon nitride CVD from dichlorosilane and ammonia

Tariel M. Makhviladze; Airat Kh. Minushev

doi:10.1117/12.853400

26 February 2010 Advanced atomic-scale simulation of silicon nitride CVD from dichlorosilane and ammonia

Tariel M. Makhviladze, Airat Kh. Minushev

Proceedings Volume 7521, International Conference on Micro- and Nano-Electronics 2009; 75211A (2010) https://doi.org/10.1117/12.853400
Event: International Conference on Micro- and Nano-Electronics 2009, 2009, Zvenigorod, Russian Federation

Abstract

The work is devoted to atomistic-scale modeling of chemical vapor deposition (CVD) of silicon nitride thin films from dichlorosilane (DCS) and ammonia (NH3). Within the framework of extended chemical mechanism that essentially extends the chemical reactions scheme developed earlier to include DCS catalytic decomposition reactions, selfconsistent model of CVD at atomistic scale has been elaborated. The extended chemical mechanism has been built up and studied by means of ab initio quantum chemistry methods. It allowed us to describe adequately the gas phase kinetic processes over a typical range of temperature, pressure and DCS: NH3 ratio. The effective kinetic model has been developed for the extended set of possible reactions. It enabled us to calculate the reaction rates and concentrations of gas mixture components as well as to carry out sensitivity analysis of kinetic equations. The surface mechanism of film growth for the extended reactions scheme has been investigated with the use of non-empirical methods based on the cluster model. Reactions of additional gas mixture components with active surface centers were calculated by quantum chemistry methods, and thermodynamic analysis of surface coverage by various chemisorbed groups has been performed.

Citation Download Citation

Tariel M. Makhviladze and Airat Kh. Minushev "Advanced atomic-scale simulation of silicon nitride CVD from dichlorosilane and ammonia", Proc. SPIE 7521, International Conference on Micro- and Nano-Electronics 2009, 75211A (26 February 2010); https://doi.org/10.1117/12.853400

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