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Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon
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Electron energy-loss spectroscopy (EELS) performed near dislocation cores is one of the few experimental techniques that can yield valuable information about the electronic levels associated with dislocations. In this study, using ab initio calculations, we model and predict low-loss and core-excitation EELS spectra acquired on various dislocation cores in silicon and diamond, and compare the results with bulk spectra. In diamond, we consider in particular 90° partial glide, undissociated 60° shuffle, and 30° partial dislocations. We find evidence of empty states localized on diamond shuffle dislocation cores and positioned below the bulk band edge, which modify the EELS spectrum. In silicon, we find changes - analogous to those seen experimentally - in core-excitation EELS near stacking faults and partial glide dislocations. All rights reserved.
Author(s): Briddon PR; Goss JPG; Fall CJ; Jones R; Blumenau AT; Frauenheim T
Publication type: Article
Publication status: Published
Journal: Physica B: Condensed Matter
Year: 2001
Volume: 308-310
Pages: 577-580
ISSN (print): 0921-4526
ISSN (electronic): 1873-2135
Publisher: Elsevier
URL: http://dx.doi.org/10.1016/S0921-4526(01)00740-2
DOI: 10.1016/S0921-4526(01)00740-2
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