Dear lammps-users:
I want to simulate boron arsenide by lammps. After literature search, I cann’t find any potential that directly descrbing the As-B interaction. So far BNC.tersoff (A. Kınacı, J.B. Haskins, C. Sevik, and T. Çağın (2012), “Thermal conductivity of BN-C nanostructures”, Physical Review B, 86(11)) can be used for B-B interaction, and 2002_GaAs.tersoff (K. Albe, K. Nordlund, J. Nord, and A. Kuronen (2002), “Modeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs”, Physical Review B, 66(3)) can be employed for As-As interaction. In 1992, A. K. Rappe reported a force field as a Universal force field (UFF). It is listed as below.
> bond angle B_3 0.838 B_2 0.828 As3+3 1.211
Can I use UFF to describe the As-B interaction? If can, how to define pair_style when using UFF?
Tanks a lot!