A versatile simulator for specular reflectivity study of multi-layer thin films

TL;DR

This paper introduces a versatile LabVIEW-based simulator for X-ray/neutron reflectivity studies of multi-layer thin films, incorporating various practical factors to closely mimic real experimental conditions.

Contribution

It presents a comprehensive, adaptable simulation tool for multilayer thin film reflectivity analysis, including absorption, roughness, and instrumental effects, with validation against experimental data.

Findings

Simulator closely matches experimental reflectivity data.

Inclusion of absorption and roughness improves simulation accuracy.

Comparison of multiple reflection theories enhances understanding.

Abstract

A versatile X-ray/neutron reflectivity (specular) simulator using LabVIEW(National Instruments Corp.) for structural study of a multi-layer thin film having any combination, including the repetitions, of nano-scale layers of different materials is presented here (available to download from the link provided at the end of the paper). Inclusion of absorption of individual layers, inter-layer roughnesses, background counts, beam width, instrumental resolution and footprint effect due to finite size of the sample makes the simulated reflectivity close to practical one. The effect of multiple reflection is compared with simulated curves following the exact dynamical theory and approximated kinematical theory. The applicability of further approximation (Born theory) that the incident angle does not change significantly from one layer to another due to refraction is also considered. Brief discussion about reflection from liquid surface/interface and reflectivity study using polarized neutron are also included as a part of the review. Auto-correlation function in connection with the data inversion technique is discussed with possible artifacts for phase-loss problem. An experimental specular reflectivity data of multi-layer erbium stearate Langmuir-Blodgett (LB) film is considered to estimate the parameters by simulating the reflectivity curve.