Structural Transitions in A Crystalline Bilayer : The Case of Lennard Jones and Gaussian Core Models

TL;DR

This paper investigates how the structure of a crystalline bilayer changes with density and interlayer distance, revealing a sequence of phase transitions influenced by the type of particle interactions.

Contribution

It provides a detailed analysis of structural transitions in bilayer systems for Lennard-Jones and Gaussian core models, highlighting the dependence on interaction nature.

Findings

Sequence of phase transitions from triangular to rectangular lattices

Transitions depend on interlayer distance and density

Different interaction models exhibit distinct transition behaviors

Abstract

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