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C. Hébert, W.-D. Schöne, D. Su:
"Experimental and theoretical determination of low electron energy loss spectra of Ag and Ru";
Ultramicroscopy, 106 (2006), 11-12; 1115 - 1119.

Experimental and theoretical determination of low electron energy loss spectra of Ag and Ru

C. Hébert a, W.-D. Schöne b and D.S. Su c

a Institut für Festkörperphysik, Technische Universität Wien, A-1040 Wien, Austria
b Department of Physical Chemistry, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany
c Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany

Received 19 July 2005; revised 5 December 2005; accepted 5 April 2006. Available online 30 June 2006.


Abstract

We show the experimental and calculated q-dependent low energy loss electron energy loss spectrum of Ru and Ag. The spectra were calculated within the time-dependent density-functional theory including local-field effects. For Ag, the momentum transfer was parallel to the (1 1 0) direction. For Ru the three main directions (0 1 0), (1 1 0) and (0 0 1) were investigated. The agreement between theory and experiment is very good for Ag and for momentum transfers parallel to the (0 0 1) direction of Ru. For momentum transfers parallel to the in-plane directions (1 1 0) and (0 1 0) the agreement for Ru is not satisfactory, which could be attributed to relativistic effects or to strong localization of the 4d states of Ru.

Keywords: Electron energy loss spectroscopy; Linear response; Anisotropy; Local-field effects; TDDFT

Electron energy loss spectroscopy; Linear response; Anisotropy; Local-field effects; TDDFT

http://aleph.ub.tuwien.ac.at/F?base=tuw01&func=find-c&ccl_term=AC06588092

http://dx.doi.org/10.1016/j.ultramic.2006.04.026