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Electronic structure and optical properties of solid C-60
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
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2009 (English)In: Physica. B, Condensed matter, ISSN 0921-4526, E-ISSN 1873-2135, 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. (C) 2009 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
2009. Vol. 404, no 12-13, 1776-1780 p.
Keyword [en]
Solid C-60, ab initio, Optical properties
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-128991DOI: 10.1016/j.physb.2009.02.030ISI: 000266863800031OAI: oai:DiVA.org:uu-128991DiVA: diva2:332414
Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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