Harmonic mesh modelling of hexagonal FeN stripes on Cu(001)

TL;DR

This paper introduces a harmonic mesh model to interpret STM images of hexagonal FeN monolayers on Cu(001), linking lattice mismatch stress to observed stripe patterns and nitrogen protrusions.

Contribution

It proposes a simple harmonic mesh model using Fourier analysis to explain the stripe patterns and nitrogen protrusions in FeN monolayers on Cu(001).

Findings

Model successfully visualizes dominant nitrogen protrusions.

Wave vectors relate to stress-minimizing Fe configurations.

Model captures basic features of STM observations.

Abstract

Hexagonal FeN monolayers on Cu(001) show a stripe pattern composed of dark and bright stripes as observed recently by scanning tunneling microscopy (STM). Here a harmonic mesh model is proposed to interpret those results. It uses a planar Fourier analysis with two different wave vectors to calculate small displacements of Fe atoms caused by lattice mismatch stress. The area of displaced Fe atom triangles is used as a measure for the protrusion of N atoms in their center. Proper selection of the wave vectors allows to visualize the dominant protrusions of (Sqrt(3) x Sqrt(3)) ordered nitrogen atoms. The wave vectors selected are related to Fe configurations which minimize lattice mismatch stress. The model is kept simple, so just the most basic features of the STM experiments are covered. The limits of the model are discussed and ways for extending it are proposed.