A A El-Barbary et al 2006 J. Phys.: Conf. Ser. 26 149 doi:10.1088/1742-6596/26/1/035
A A El-Barbary1,2, S Trasobares3,4, C P Ewels1,3, O Stephan3, A V Okotrub5, L G Bulusheva5, C J Fall6 and M I Heggie1
Show affiliationsWe present a comparative spectroscopic study of carbon as graphite, diamond and C60 using C1s K-edge electron energy-loss spectroscopy (EELS), X-ray emission spectroscopy, and theoretical modelling. The first principles calculations of these spectra are obtained in the local density approximation using a self-consistent Gaussian basis pseudo-potential method. Calculated spectra show excellent agreement with experiment and are able to discriminate not only between various carbon hybridisations but also local variation in environment. Core-hole effects on the calculated spectra are also investigated. For the first time, the EEL spectrum of carbyne is calculated.
Issue 1 (2006)
A A El-Barbary et al 2006 J. Phys.: Conf. Ser. 26 149
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