I have been trying to simulate SiO2/Si interface by depositing Si
and oxygen atoms. For this I am using
a tersoff type potential parametrized for Si-O system, but this
does'nt seem to be working as I am getting
long chain of oxygen atoms, i.e there is bonding between oxygen atoms.
In some places oxygen
is bonding with 3 atoms.
Does anyone knows how to fix this or suggest an alternative potential.
The potential values are taken frm the paper S Munetoh et al Comp. Mat
Sci 39 (2007) 334-339.
Thanks in advance.