Compliant substrate epitaxy: Au on MoS$_2$

TL;DR

This paper investigates the epitaxial growth of gold on MoS$_2$, revealing that the {111} orientation is stabilized by surface, interfacial energies, and substrate compliance despite lattice mismatch.

Contribution

It provides a detailed analysis combining density functional theory and elasticity to explain the preferred gold orientation on MoS$_2$.

Findings

{111} orientation is stabilized by energetic contributions.

The substrate's compliance influences gold orientation.

Epitaxial growth occurs despite significant lattice mismatch.

Abstract

The epitaxial growth of {111} oriented Au on MoS$_2$ is well documented despite the large lattice mismatch (~8% biaxial strain), and the fact that a Au {001} orientation results in much less elastic strain. An analysis based on density functional and linear elasticity theories reveals that the {111} orientation is stabilized by a combination of favorable surface and interfacial contributions to the energy, and the compliance of the first layer of the MoS$_2$.