Abstract
We compare the impact on the RBS/C spectra of defect configurations in silicon obtained from either empirical interatomic potentials or ab initio calculations. Using the Tersoff potential as the empirical potential and the VASP code for ab initio calculations we have determined the coordinates of the split-〈110〉 interstitial, of the di-, tri- and four-interstitial cluster, and of the tetrahedral interstitial as well as the strain on neighboring atoms induced by the presence of these defects. Using these coordinates in binary collision RBS/C simulations we find differences in the RBS/C yields of up to 30%. The dependence of the backscattering yield on the assumed defect type is larger with the defect coordinates obtained by the empirical potential than by the ab initio calculations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.