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Electron spectroscopy of carbon materials: Experiment and theory

El-Barbary, AA, Trasobares, S, Ewels, CP, Stephan, O, Okotrub, AV, Bulusheva, LG, Fall, CJ and Heggie, MI (2006) Electron spectroscopy of carbon materials: Experiment and theory Journal of Physics: Conference Series, 26 (1). pp. 149-152.

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We 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. © 2006 IOP Publishing Ltd.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
El-Barbary, AA
Trasobares, S
Ewels, CP
Stephan, O
Okotrub, AV
Bulusheva, LG
Fall, CJ
Date : 1 January 2006
DOI : 10.1088/1742-6596/26/1/035
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:31
Last Modified : 24 Jan 2020 22:24

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