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Core Hole Effects on Eels Near-Edge Fine Structure in Semiconductors and Insulators

Published online by Cambridge University Press:  02 July 2020

Gerd Duscher ,
Ryszard Buczko ,
Stephen J. Pennycook  and
Sokrates T. Pantelides
Gerd Duscher
Affiliation:
North Carolina State University, Materials Science & Engineering, Raleigh, NC Oak Ridge National Laboratory, Solid State Division, Oak Ridge, TN
Ryszard Buczko
Affiliation:
Oak Ridge National Laboratory, Solid State Division, Oak Ridge, TN Vanderbilt University, Department of Physics & Astronomy, Nashville, TN
Stephen J. Pennycook
Affiliation:
Oak Ridge National Laboratory, Solid State Division, Oak Ridge, TN Vanderbilt University, Department of Physics & Astronomy, Nashville, TN
Sokrates T. Pantelides
Affiliation:
Oak Ridge National Laboratory, Solid State Division, Oak Ridge, TN Vanderbilt University, Department of Physics & Astronomy, Nashville, TN
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Abstract

Electron energy-loss spectroscopy (EELS) is now a standard tool to investigate the local chemistry and bonding of defects in solids. to first order, the energy thresholds of the ionization edges in EELS spectra are determined by the identity of the element [1], while small shifts are induced by different bonding coordination and charge states [2]. The shapes of ionization edges in EELS spectra reflect the local bonding environments. We present first-principles calculations that incorporate electron-hole interactions and are in excellent agreement with experimental data obtained with X-ray absorption spectroscopy (XAS) and EELS. The superior energy resolution in XAS spectra and the new calculations make a compelling case that core-hole effects dominate core-excitation edges in all of the materials investigated: Si, SiO2, MgO, SrTiO3 and SiC. These materials differ widely in their dielectric constants leading to the conclusion that core-hole effects dominate all core-electron excitation spectra in semiconductors and insulators.

Type
EELS Microanalysis at High Sensitivity: Advances in Spectrum Imaging, Energy Filtering and Detection (Organized by R. Leapman and J. Bruley)
Information
Microscopy and Microanalysis , Volume 7 , Issue S2: Proceedings: Microscopy & Microanalysis 2001, Microscopy Society of America 59th Annual Meeting, Microbeam Analysis Society 35th Annual Meeting, Long Beach, California August 5-9, 2001 , August 2001 , pp. 1174 - 1175
Copyright
Copyright © Microscopy Society of America 2001

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References

References:

[1]Egerton, R. F., Electron Energy--Loss Spectroscopy in the Electron Microscope (Plenum Press, New York, 1996).CrossRefGoogle Scholar
[2]Himpsel, H. J, McFeel, F. R, Taleb-Ibrahimi, A, Yarmoff, J. A, and G Hollinger, , Phys. Rev. B 38,6084(1988).CrossRefGoogle Scholar
[3]Pantelides, S. T., Phys. Rev. B, 2391–2411 (1975).CrossRefGoogle Scholar
[4]Buzcko, R., Pennycook, S. J., and Pantelides, S.T., Phys. Rev. Lett. 84 (1999) 943.Google Scholar
[5] This work was supported by a DARPA/EPRI grant, a MURI/ASFOR grant and by the USDOE under contract DE-AC05-00OR22725 managed by UT-Battelle, LLC.Google Scholar