Abstract
This work aims to propose a method to calculate the inelastic mean free path (IMFP) by means of the energy loss function (ELF) calculated by the density functional theory software “QUANTUM ESPRESSO” (QE). This attempt at IMFP calculations, omitting the intermediate steps of optical energy loss function (OELF) calculations in FPA, and is available to IMFP calculations in the lower energy range. Combined with secondary electron generation model, makes it easier to perform Monte Carlo simulations of secondary electron emission from metals. ELF and IMFP data for Cu and Al crystals in the energy range from 0.1 to 10,000 eV were calculated and compared with the widely used “Full Penn Algorithm” (FPA) results10 with the same trends and orders of magnitude. The secondary electron yield (SEY) simulations are in reasonable agreement with the experimental results.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
