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Theoretical studies on one-, two- and three-dimensional carbon structures
Linköping University, Department of Physics, Measurement Technology, Biology and Chemistry. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-8242-3407
2000 (English)Licentiate thesis, monograph (Other academic)
Abstract [en]

This thesis deals with electronic structure calculations in large carbon based materials, Especially graphite like structures have been studied. For this the tight binding method together with more sophisticated quantum chemical methods has been utilised. The first part of this thesis provides a background to the theoretical models used in the papers.

In paper one, single bonded fulleride polymers of all dimensions have been studied as a function of charge state.

In paper two, the effect of vacancies in graphite is modelled within the tight binding formulation.

In paper three, electron localization in quasi-one dimensional systems in the presence of disorder are investigated.

Place, publisher, year, edition, pages
Linköping: Linköpings universitet , 2000. , p. 59
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 819
Keywords [en]
Tight binding, Hückel, Fullerenes, graphite, Anderson localization, transfer matrix
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:liu:diva-145925Local ID: LiU-TEK-LIC-2000:15ISBN: 9172197005 (print)OAI: oai:DiVA.org:liu-145925DiVA, id: diva2:1200062
Available from: 2018-04-23 Created: 2018-04-23 Last updated: 2018-11-22Bibliographically approved

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Hjort, Mattias

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  • nn-NB
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Output format
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