  A new interlayer force-field for layered hexagonal boron nitride (h-BN) based
structures is presented. The force-field contains three terms representing the
interlayer attraction due to dispersive interactions, repulsion due to
anisotropic overlaps of electron clouds, and monopolar electrostatic
interactions. With appropriate parameterization, the potential is able to
simultaneously capture well the binding and lateral sliding energies of planar
h-BN based dimer systems as well as the interlayer telescoping and rotation of
double walled boron-nitride nanotubes of different crystallographic
orientations. The new potential thus enables the accurate and efficient
modeling and simulation of large-scale h-BN based layered structures.
