NEAR-EDGE X-RAY-ABSORPTION FINE-STRUCTURE OF PB - A COMPARISON OF THEORY AND EXPERIMENT

Citation
M. Newville et al., NEAR-EDGE X-RAY-ABSORPTION FINE-STRUCTURE OF PB - A COMPARISON OF THEORY AND EXPERIMENT, Physical review. B, Condensed matter, 47(21), 1993, pp. 14126-14131
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
47
Issue
21
Year of publication
1993
Pages
14126 - 14131
Database
ISI
SICI code
0163-1829(1993)47:21<14126:NXFOP->2.0.ZU;2-S
Abstract
Two independent techniques are used to obtain the background function for the x-ray-absorption fine structure (XAFS) of pure Pb at energies that are normally inaccessible because they are in the edge. The resul ts of the two techniques are shown to give the same chi(k) above a thr eshold energy in the absorption edge, where the background is 70% of t he edge step. The reliability of the XAFS starting at unprecedentedly low k values (1.5 angstrom-1 above the Fermi energy) allows sensitive tests of several details of theoretical XAFS calculations. Electron-ho le-excitation losses in addition to the plasmon-pole loss term are sho wn to be important, and the Hedin-Lundqvist many-body self-energy is f ound to be superior to that of Dirac-Hara for pure Pb. One of the pres ented methods of background removal can be employed for general XAFS a nalysis, and is easily automated.