Relativistic real-space multiple scattering calculations of EELS
ORAL
Abstract
We present an extension of the real space multiple scattering code FEFF8 for {\it ab initio}, relativistic calculations of electron energy loss spectra (EELS), which is applicable both to periodic and non-periodic systems. The approach explains the observed relativistic shifts in the magic angle. \footnote{B. Jouffrey, P. Schattschneider and C. Hebert, Ultramicroscopy {\bf102}, 61 (2004).} In addition, the method can account for experimental parameters such as collection and convergence angles of the microscope and sample orientation. We also discuss relativistic effects on inelastic electron scattering including the density correction to the stopping power. Our results are compared with other approaches and with experiment.
*Supported by DOE Grant DE-FG02-97ER45623 (JJR and MP), NIST Grant 70 NAMB 2H003 (AS), NIH NCRR BTP grant RR-01209 (AS), and facilitated by the DOE Computational Materials Science Network (CMSN).
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