Silicon film growth simulation

Ohira, T, Ukai, O., Noda, M., Takeuchi, Y, and Murata, M., Molecular-dynamics simulations of hydrogenated amorphous silicon thin-film growth. Mater. Res. Soc. Symp. Proc. 408, 445-450 (1996). 

This approach was successfully used in modeling the CVD of silicon nitride (Si3N4) films [18, 19, 22, 23]. Alternatively, molecular dynamics (MD) simulations can be used instead of or in combination with the MC approach to simulate kinetic steps of film evolution during the growth process (see, for example, a study of Zr02 deposition on the Si(100) surface [24]). Finally, the results of these simulations (overall reaction constants and film characteristics) can be used in the subsequent reactor modeling and the detailed calculations of film structure and properties, including defects and impurities. 

Kubota, A., and Economou, D. J., A molecular-dynamics simulation of ultrathin oxide films on silicon Growth by thermal O atoms and sputtering by 100 eV Ar ions. IEEE Trans. Plasma Sci. 27,1416-1425 (1999). 

Figure 6.12. (A) Spectra of Na4TPPS, [ZnTRP](Cp3SOJ)4 and the respective ion-pair in methanol inset absorbance vs. molar ratio. (B) Growth of an electrostatic assembled Zn-TRP/TPPS film on ITO(4, 8,16, 20, 25, and 30 bilayers) followed by UV-Vis spectroscopy inset plots of absorbance at 424 nm and thickness vs. number of bUayers. The thickness of films deposited on silicon wafer was measured by AFM. The computer simulated structures of TRP, TPPS, and corresponding ion-pair is shown at the top.

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