Alloy formation at the bottom and top Fe interfaces of Ti/Fe/Ti trilayers

TL;DR

This study investigates the atomic-scale chemical mixing and interface structures in Ti/Fe/Ti trilayers using experimental techniques and molecular dynamics simulations, revealing asymmetries at the top and bottom Fe interfaces.

Contribution

It provides new insights into the atomic sharpness and asymmetry of Fe interfaces in Ti/Fe/Ti trilayers through combined experimental and computational analysis.

Findings

Atomic sharpness at Ti-on-Fe interface for certain orientations

Variation over a few atomic layers at Fe-on-Ti interface

Larger asymmetry observed in trilayers grown on Si(111) substrate

Abstract

The chemical mixing at the Fe-on-Ti and Ti-on-Fe, i.e. the bottom and top interfaces of Fe in atomically deposited layers, were studied experimentally and by molecular dynamics simulations of the layer growth. The basic structure and chemical composition of the layers were explored in cross-sections using transmission electron microscopy. The calculations show a concentration distribution along the layer growth direction which is atomically sharp at the Ti-on-Fe interface for the (001) and (110) crystallographic orientations of the Fe layer, while it varies over a few atomic layers for Fe(111) substrate and at the Fe-on-Ti interface for all studied substrate orientations. Conversion electron M\"ossbauer spectroscopy and X-ray reflectometry measurements indicate an even larger asymmetry of the bottom and top Fe interface in Ti/Fe/Ti trilayers grown over Si(111) substrate by vacuum evaporation.