Boundary-induced nucleation control: A theoretical perspective

TL;DR

This paper presents a theoretical framework combining kinetic Monte Carlo simulations and analytical scaling to explain how substrate pre-patterning can precisely control nucleation during physical vapor deposition.

Contribution

It offers a comprehensive theoretical understanding of nucleation control via substrate patterning, validated by simulations and analytical models, enhancing the predictability of material deposition processes.

Findings

Good agreement between theory and experiment on nucleation control

Identification of key parameters for single-cluster formation per grid cell

Validation of the mechanism's generality for material deposition control

Abstract

The pre-patterning of a substrate to create energetically more attractive or repulsive regions allows one to generate a variety of structures in physical vapor deposition experiments. A particular interesting structure is generated if the energetically attractive region is forming a rectangular grid. For specific combinations of the particle flux, the substrate temperature and the lattice size it is possible to generate exactly one cluster per cell, giving rise to nucleation control. Here, we show that the experimental observations of nucleation control can be very well understood from a theoretical perspective. For this purpose we perform, on the one hand, kinetic Monte Carlo simulations and, on the other hand, use analytical scaling arguments to rationalize the observed behavior. For several observables, characterizing nucleation control, a very good agreement is found between experiment and theory. This underlines the generality of the presented mechanism to control the deposition of material by manipulation of the direct environment.