Dear LAMMPS users,
Does anyone have idea about why atoms in zinc blende structure possess homogeneous potential energy?
According to manual on Tersoff potential, (I’ll take SiC as an example) Si-C-C contains parameters when Si is at center, 2nd C as a bonding atom, and 3rd C as atoms influencing the bond.
And SiCGe.tersoff potential file shows Si-C-C and C-Si-Si have a definitely different value.
I think this difference should make the potential energy for each layer different(since one layer comprised of one element), unless positions of atoms changes(Unfortunately, I cannot see any position difference)
However, according to potential energy computed from LAMMPS, every atoms have a same amount of energy.
I would really appreciate If anyone have explanation on this phenomenon.
Thanks in advance.