Equilibrium Shape and Size of Supported Heteroepitaxial Nanoislands

TL;DR

This paper investigates the equilibrium shape, size, and growth modes of strained heteroepitaxial nanoislands using an atomistic model, mapping out phase diagrams and deriving energy formulas.

Contribution

It provides a detailed phase diagram of growth modes and introduces an analytic energy interpolation formula for strained nanoislands.

Findings

Identification of all growth mode phases including Stranski-Krastanow regime.

Analysis of energy contributions determining optimal island shape and size.

Development of an analytic formula for total energy of strained nanoislands.

Abstract

We study the equilibrium shape, shape transitions and optimal size of strained heteroepitaxial nanoislands with a two-dimensional atomistic model using simply adjustable interatomic pair potentials. We map out the global phase diagram as a function of substrate-adsorbate misfit and interaction. This phase diagram reveals all the phases corresponding to different well-known growth modes. In particular, for large enough misfits and attractive substrate there is a Stranski-Krastanow regime, where nano-sized islands grow on top of wetting films. We analyze the various terms contributing to the total island energy in detail, and show how the competition between them leads to the optimal shape and size of the islands. Finally, we also develop an analytic interpolation formula for the various contributions to the total energy of strained nanoislands.