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Tight Binding Descriptions of Graphene and Its Derivatives

dc.contributor.authorMuhammad, Maikudi Isah
dc.date.accessioned2018-09-03T10:28:02Z
dc.date.available2018-09-03T10:28:02Z
dc.date.issued2017-12-20
dc.identifier.urihttp://repository.aust.edu.ng/xmlui/handle/123456789/656
dc.description.abstractGraphene is an effectively two dimensional form of carbon atoms arranged in honeycomb lattice. Due to its lightweight, high electron mobility and other special electronic properties it is considered both an academically interesting and industrially promising candidate for various electronics applications. Many investigations focused on graphene require theoretical simulations to be performed over a large number of unit cells of graphene. For simulation scenarios where ab-initio methods are computationally too costly, researchers often refer to the low-cost but still highly accurate tight-binding (TB) model. In TB model, the electron interaction is parametrized, either through the derivation of parameters using first principles methods, or by fitting to experimental results. The results of TB simulations depend strongly on this parameterization, therefore it is very important to know the level of accuracy and transferability of these parameters. In this research project we will simulate the band structure and density of states of graphene and other derivative of carbon structures such as nanoribbons using a state-of-the-art parameter set; and compare their performance to the results of ab initio calculations. The resulting comparison will serve as a benchmark for future studies on graphene and derivatives.en_US
dc.description.sponsorshipAUST,ADBen_US
dc.language.isoenen_US
dc.subject2017 Theoretical and Applied Physics Thesesen_US
dc.subjectIsah Muhammad Maikudien_US
dc.subjectGrapheneen_US
dc.subjectTight-Bindingen_US
dc.subjectab-initioen_US
dc.subjectNanoribbonsen_US
dc.subjectNanotubesen_US
dc.subjectBloch Theoremen_US
dc.subjectDFTen_US
dc.subjectQuantum Espressoen_US
dc.subjectHohenberg-Kohn theoremsen_US
dc.subjectLDAen_US
dc.subjectGGAen_US
dc.subjectPseudopotentialsen_US
dc.subjectBrillouin Zoneen_US
dc.subjectDirac pointsen_US
dc.subjectDr. Emine Kucukbenlien_US
dc.subjectDr Akin-Ojo Omololuen_US
dc.titleTight Binding Descriptions of Graphene and Its Derivativesen_US
dc.typeThesisen_US


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  • Theoretical and Applied Physics55

    This collection contains selected research work by Theoretical and Applied Physics Students at the master's level, from 2009-2022.

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