Force field advice for Gallium Oxide – LAMMPS General Discussion

Dear LAMMPS users,

I would like to do MD simulation to study ion bombardment (Argon) on β-Ga2O3 single crystals, but there is no available potential files for gallium oxide. I am wondering is there have any recommended pair styles that I can use for the Ga2O3 sputtering process? If I have to develop my own potential file, can I please have some suggestions or related papers that I can follow?

I have been looking into COMB, LJ, and Tersoff pair styles, but I am not very confident with any of them. I am quite familiar with DFT calculations for finding parameters, but choosing the most appropriate pair style has been bothering me for a long time. Any suggestions are greatly appreciated. Thanks in advance.

Sincerely,
Xiting

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