Simulating electron energy loss spectroscopy with the MNPBEM toolbox

• Published in: Computer physics communications Vol. 185; no. 3; pp. 1177 - 1187
• Main Author: Hohenester, Ulrich
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.03.2014
• Subjects: Boundary element method; Computer simulation; Electron energy loss spectroscopy; Electron energy loss spectroscopy (EELS); Mathematical models; Matlab; Metallic nanoparticles; Nanoparticles; Plasmonics; Summaries; Plasmonics; Metallic nanoparticles; Boundary element method; Electron energy loss spectroscopy (EELS)
• ISSN: 0010-4655; 1879-2944
• DOI: 10.1016/j.cpc.2013.12.010

Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed by García de Abajo and coworkers (Garcia de Abajo, 2010). We introduce two classes eelsret and eelsstat that allow in combination with our recently developed MNPBEM toolbox for a simple, robust, and efficient computation of EEL spectra and maps. The classes are accompanied by a number of demo programs for EELS simulation of metallic nanospheres, nanodisks, and nanotriangles, and for electron trajectories passing by or penetrating through the metallic nanoparticles. We also discuss how to compute electric fields induced by the electron beam and cathodoluminescence. Program title:MNPBEM toolbox Catalogue identifier: AEKJ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKJ_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 38886 No. of bytes in distributed program, including test data, etc.: 1222650 Distribution format: tar.gz Programming language: Matlab 7.11.0 (R2010b). Computer: Any which supports Matlab 7.11.0 (R2010b). Operating system: Any which supports Matlab 7.11.0 (R2010b). RAM:≥1 GB Classification: 18. Catalogue identifier of previous version: AEKJ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 370 External routines: MESH2D available at www.mathworks.com Does the new version supersede the previous version?: Yes Nature of problem: Simulation of electron energy loss spectroscopy (EELS) for plasmonic nanoparticles. Solution method: Boundary element method using electromagnetic potentials. Reasons for new version: The new version of the toolbox includes two additional classes for the simulation of electron energy loss spectroscopy (EELS) of plasmonic nanoparticles, and corrects a few minor bugs and inconsistencies. Summary of revisions: New classes “eelsstat” and “eelsret” for the simulation of electron energy loss spectroscopy (EELS) of plasmonic nanoparticles have been added. A few minor errors in the implementation of dipole excitation have been corrected. Running time: Depending on surface discretization between seconds and hours.