VecMap: A Python-based Graphic User Interface Tool for Atomic Displacement Mapping in Perovskite Structures

VecMap, a python-based graphic user interface tool was developed to help analyzing the atomic displacements in perovskite ceramics. With an input of a high-resolution STEM image in which the A-site, B-site, and/or O columns clearly resolved, VecMap outputs the displacement vector maps of either A-site or B-site cations, as well as the oxygen vector map if O columns are visible, in a highly automated fashion. A Coupled HAADF-ABF function was specially designed for easy atom finding in ABF images, in case the A-site and B-site atoms are too close in atomic numbers to show enough contrast. VecMap greatly simplifies the analysis of atomic displacement in perovskite structures.

Automated summary

VecMap is a python-based graphic user interface tool developed to analyze atomic displacements in perovskite ceramics. It automatically outputs displacement vector maps of A-site or B-site cations, and oxygen vector maps if O columns are visible, based on high-resolution STEM images. A specially designed Coupled HAADF-ABF function helps find atoms in ABF images with close atomic numbers. VecMap greatly simplifies the analysis of atomic displacement in perovskite structures.