Progress and new advances in simulating electron microscopy datasets using MULTEM

I Lobato; S Van Aert; J Verbeeck

doi:10.1016/j.ultramic.2016.06.003

Progress and new advances in simulating electron microscopy datasets using MULTEM

Ultramicroscopy. 2016 Sep:168:17-27. doi: 10.1016/j.ultramic.2016.06.003. Epub 2016 Jun 8.

Authors

I Lobato¹, S Van Aert², J Verbeeck²

Affiliations

¹ EMAT, University of Antwerp, Department of Physics, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. Electronic address: Ivan.Lobato@uantwerpen.be.
² EMAT, University of Antwerp, Department of Physics, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.

PMID: 27323350
DOI: 10.1016/j.ultramic.2016.06.003

Abstract

A new version of the open source program MULTEM is presented here. It includes a graphical user interface, tapering truncation of the atomic potential, CPU multithreading functionality, single/double precision calculations, scanning transmission electron microscopy (STEM) simulations using experimental detector sensitivities, imaging STEM (ISTEM) simulations, energy filtered transmission electron microscopy (EFTEM) simulations, STEM electron energy loss spectroscopy (EELS) simulations along with other improvements in the algorithms. We also present a mixed channeling approach for the calculation of inelastic excitations, which allows one to considerably speed up time consuming EFTEM/STEM-EELS calculations.

Keywords: Electron scattering factors; Frozen phonon calculations; GPU calculations; Inelastic scattering; Multislice simulations.

Publication types

Research Support, Non-U.S. Gov't