Journal article
Linear-scaling algorithm for rapid computation of inelastic transitions in the presence of multiple electron scattering
HG Brown, J Ciston, C Ophus
Physical Review Research | AMER PHYSICAL SOC | Published : 2019
Open access
Abstract
Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss spectroscopy (EELS). These simulations require a full quantum-mechanical treatment of multiple scattering of the electron beam, both before and after a core-level inelastic transition. Current algorithms scale quadratically and can take up to a week to calculate on desktop machines even for simple crystal unit cells and do not scale well to the nanoscale heterogeneous systems that are often of interest to materials science researchers. We introduce an algorithm w..
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Awarded by Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy
Funding Acknowledgements
The authors thank Les Allen and Scott Findlay for helpful discussions. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. All authors acknowledge additional support from the U.S. Department of Energy Early Career Research Program. J.C. and H.G.B. acknowledge additional support from the Presidential Early Career Award for Scientists and Engineers (PECASE) through the U.S. Department of Energy.