Structural transitions in a crystalline bilayer: the case of Lennard-Jones and Gaussian core models

Abstract

We study structural transitions in a system of interacting particles arranged as a crystalline bilayer, as a function of the density ρ and the distance d between the layers. As d is decreased a sequence of transitions involving triangular, rhombic, square and centred rectangular lattices is observed. The sequence of phases and the order of transitions depends on the nature of the interactions.