Hi, I am trying to start a deposition simulation for TiO2 film on Si surface. Si (001) surface is ready now I want to initiate deposition. Will use fix/deposit for Ti and O at 1 to 2 ratio.
I will be using Tersoff potentials for Si and O interactions and Buckingham/coul with MA coefficients for Ti-O interactions.
But what is the potential that best describes the Si-Ti interactions?
Thank you all.
During deposition of TiO2 or Al2O3 on Si substrate, I am planning to have the sputtered atoms as charged atoms. But I am not sure if I should also make the subtstare Si atoms charged.
During deposition negative potential is applied at the target and thus they are sputtered by the impact of positively charged Ar atoms. Sputtered atoms can be neutral and also charged in the plasma with the ionized O atoms as well which combine with Ti to form TiO2. Si is grounded so I am planning to keep them as neutral.
what do you think?
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