Core-hole effects on energy-loss near-edge structure.
We present first-principles electron energy-loss near-edge structure calculations that incorporate electron-hole interactions and are in excellent agreement with experimental data obtained with X-ray absorption spectroscopy (XAS) and electron energy-loss spectroscopy (EELS). The superior energy resolution in XAS spectra and the new calculations make a compelling case that core-hole effects dominate core-excitation edges of the materials investigated: Si, SiO2, MgO, and SiC. These materials differ widely in the dielectric constant leading to the conclusion that core-hole effects dominate all core-electron excitation spectra in semiconductors and insulators. The implications of the importance of core-holes for simulations of core-electron excitation spectra at interfaces will be discussed.
Department of Physics and Astronomy, Vanderbilt University, Nashville, TN, USA.
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G
Duscher
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Buczko
S J
SJ
Pennycook
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Pantelides