# Parameters for Si-C interactions from CITATION: J. Tersoff, Phys Rev Lett, 64, 1757 (1990) # This parameterization focused on studying C interstitials in bulk Si. It has a sharp cutoff not suited for unconstrained simulations. # Parameter values verified by Lucas Hale. # The values in SiC_1990.tersoff files of August 22, 2018 LAMMPS distribution are comparable, with higher precisions used here for the derived mixing parameters. # Note that the value of n has no effect when B=0. # Values are in LAMMPS "metal" units. # e1 e2 e3 m gamma lambda3 c d costheta0 n beta lambda2 B R D lambda1 A C C C 3.0 1.0 0.0 19981 7.034 -0.33953 0.99054 4.1612e-6 2.3064 389.63 2.5 0.0 3.4653 1544.8 Si Si Si 3.0 1.0 0.0 100390 16.217 -0.59825 0.78734 1.1e-6 1.7322 471.18 2.5 0.0 2.4799 1830.8 C Si Si 3.0 1.0 0.0 19981 7.034 -0.33953 0.99054 4.1612e-6 2.0193 427.269495609187 2.5 0.0 2.9726 1681.731203254551 C C Si 3.0 1.0 0.0 19981 7.034 -0.33953 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 C Si C 3.0 1.0 0.0 19981 7.034 -0.33953 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 Si C C 3.0 1.0 0.0 100390 16.217 -0.59825 0.78734 1.1e-6 2.0193 427.269495609187 2.5 0.0 2.9726 1681.731203254551 Si C Si 3.0 1.0 0.0 100390 16.217 -0.59825 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 Si Si C 3.0 1.0 0.0 100390 16.217 -0.59825 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0