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Electronic structure and optical properties of solid C-60
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2009 (English)In: Physica. B, Condensed matter, ISSN 0921-4526, Vol. 404, no 12-13, 1776-1780 p.Article in journal (Refereed) Published
Abstract [en]

The electronic structure and the optical properties of face-centered-cubic C-60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C-60.

Place, publisher, year, edition, pages
2009. Vol. 404, no 12-13, 1776-1780 p.
Keyword [en]
Solid C-60, ab initio, Optical properties, absorption-spectra, band, c60, excitations, graphite, carbon
URN: urn:nbn:se:kth:diva-18501DOI: 10.1016/j.physb.2009.02.030ISI: 000266863800031ScopusID: 2-s2.0-67349102759OAI: diva2:336548
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-02-01Bibliographically approved

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Ahuja, RajeevHugosson, Håkan WilhelmJohansson, Börje
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