zbl-potential in ion-bombardement-simulation

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1

Dear All

now i am working with LAMMPS to simulate the ion bombardement of ``Silicon(target) with gallium particles(more than one).And now i have some problems in setting force fields of zbl potential.

I set the Si atoms as type 1,and set Ga as type 2.I plan to use tersoff potential for Si-Si interactions,and zbl potential for Si-Ga and Ga-Ga interactions.Could anyone please tell me how to write my lammps commands?Thank you very much!

the lammps commands which i wrote are here.I also do not know the exact “inner” and “outer” value either
pair_style hybrid tersoff zbl inner outer
pair_coeff * * tersoff Si.tersoff Si NULL

2

It is possible to do what you are suggesting using the pair_style hybrid. However, there are some issues. In particular, when the Ga atom collides with the first Si, bouncing it into the second Si, the high-energy Si-Si repulsion will be too soft. The tersoff/zbl style was created for exactly this purpose. Check it out.