HRXRD Plugin

An integrated reciprocal lattice map and high-resolution rocking curve plugin for epitaxial films analysis

• Dynamical simulation fitting on high-resolution XRD (HRXRD) data and analysis of high-resolution reciprocal space mapping (RSM)
• Support all 230 space groups of crystal structures
• Stress-relaxation and composition analysis from asymmetric RSM
• Indexing on measured RSM
• Lattice parameters and strain calculation from RSM

This plugin enables both reciprocal lattice map and high-resolution rocking curve analysis to be executed in a single plugin module. It performs seamless analysis of epitaxial films such as compound semiconductors. The plugin enables reciprocal lattice map analysis, which estimates crystal orientation and strain state, as well as high-resolution rocking curve analysis, which estimates film thickness and composition ratios.

Designed for advanced materials

This plugin supports analysis of epitaxial growth with anisotropy within the surface plane of the substrate. Employing “anchor parameters,” which specify orientation in two directions of the sample surface plane, allows users to analyze anisotropic elastic deformation of epitaxial films in in-plane anisotropic tensions. The method can be applied to cutting-edge materials such as epitaxial films deposited on silicon (110) substrate or a-plane and m-plane sapphire substrate.

Advanced peak search and display functions

Functions used frequently for the analysis of reciprocal lattice map data have been simplified. A single click can switch the display of goniometer coordinates or reciprocal lattice space coordinates in reciprocal space mapping data and activate an advanced peak search function that can also be applied to 2D diffraction data in order to obtain precise coordinates of reciprocal lattice points in a simple way. Measurement results can be easily interpreted using a function that overlaps a simulation result obtained for a sample model onto measurement data.

Applicable to various film structure models

Structure models of samples having complicated multilayer film structures can be created smoothly using the inter-layer parameter link function or superlattice modeling function. Parameters to describe a state of strain can be chosen from relaxation, strain, and lattice mismatch in two directions within the plane. Functions to set orientation deviation (tilt and twist)of multilayer films and evaluate mosaicity have been added. Parameters can be fine-tuned using a slider bar. A sample profile chart shows a complicated sample structure in an easy-to-understand visual way by specifying a display color for each crystal phase.

Function of simultaneous fitting of multiple data

A function to fit multiple measurement data with different reflection indices to a film structure model was installed. Management of the conditions and results of analysis are easy because the measurement data and film structure model used for the analysis are saved as one project.

Accurate and quick fitting analysis

A genetic algorithm and least-squares method are employed as fitting algorithms. Appropriate setting of constraints and upper and lower limits can prevent value divergence in the simultaneous fitting of many parameters to obtain stable analysis results.

By incorporating four-wave approximation and recursive matrix theories in theoretical profile analysis, a measurement with small incident angle and a deformed state of an epitaxial thin film such as complete relaxation, partial deformation, and overall deformation can be reproduced more accurately.