Crystallographic analysis of the lattice metric (CALM) from single electron backscatter diffraction or transmission Kikuchi diffraction patterns

Nolze, Gert
Tokarski, Tomasz
Rychłowski, Łukasz
Cios, Grzegorz
Winkelmann, Aimo

DOI: https://doi.org/10.1107/S1600576721004210
Persistent URL: http://resolver.sub.uni-goettingen.de/purl?gldocs-11858/9534
Nolze, Gert; Tokarski, Tomasz; Rychłowski, Łukasz; Cios, Grzegorz; Winkelmann, Aimo, 2021: Crystallographic analysis of the lattice metric (CALM) from single electron backscatter diffraction or transmission Kikuchi diffraction patterns. In: Journal of Applied Crystallography, 54, 3, 1012-1022, DOI: https://doi.org/10.1107/S1600576721004210. 
 
Rychłowski, Łukasz; 3AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059Krakow, Poland
Cios, Grzegorz; 3AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059Krakow, Poland
Winkelmann, Aimo; 3AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059Krakow, Poland

Abstract

A new software is presented for the determination of crystal lattice parameters from the positions and widths of Kikuchi bands in a diffraction pattern. Starting with a single wide‐angle Kikuchi pattern of arbitrary resolution and unknown phase, the traces of all visibly diffracting lattice planes are manually derived from four initial Kikuchi band traces via an intuitive graphical user interface. A single Kikuchi bandwidth is then used as reference to scale all reciprocal lattice point distances. Kikuchi band detection, via a filtered Funk transformation, and simultaneous display of the band intensity profile helps users to select band positions and widths. Bandwidths are calculated using the first derivative of the band profiles as excess‐deficiency effects have minimal influence. From the reciprocal lattice, the metrics of possible Bravais lattice types are derived for all crystal systems. The measured lattice parameters achieve a precision of <1%, even for good quality Kikuchi diffraction patterns of 400 × 300 pixels. This band‐edge detection approach has been validated on several hundred experimental diffraction patterns from phases of different symmetries and random orientations. It produces a systematic lattice parameter offset of up to ±4%, which appears to scale with the mean atomic number or the backscatter coefficient.


New software and algorithms for the accurate measurement of crystal lattice parameters from Kikuchi bands in a diffraction pattern are presented. image