Tersoff potentail parameters for boron and hydrogen interactions

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1

Hello Lammps users,

I am simulating a system in which interaction between boron and hydrogen are needed. Does anybody has any idea about tersoff potential parameters for boron and hydrogen interactions? I could not find these parameters in literature.

Thanks

Rajesh

2

I just did a quick Google search and it seems Sevik and other has developed such a potential. I suggest you take a closer look, do a more rigorous literature search, and talk to your advisor. If there truly is not such a potential, then someone will need to parameterize it.

Ray