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Experimental and theoretical improvements on understanding of the O K-edge of TeO2

Authors
Journal
Ultramicroscopy
0304-3991
Publisher
Elsevier
Publication Date
Volume
106
Issue
2
Identifiers
DOI: 10.1016/j.ultramic.2005.06.062
Keywords
  • Teo2
  • Electron Energy Loss Spectroscopy

Abstract

Abstract Using an electron monochromator attached to an electron microscope, high energy-resolution electron energy-loss spectra collected from TeO 2 have revealed new features in the Oxygen K-edge. Using density-functional theory in the local density and the generalized gradient approximation, we find that core-hole strength of 1.3 gives an excellent fit to our high-resolution experimental data. This indicates that screening is not weak in this oxide, as normally assumed, and that neither the ground state nor a full core-hole model is adequate in quantitative reproduction of the O K-edge in the TeO 2 system.

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