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dc.contributor.advisorSchwingenschlögl, Udo
dc.contributor.authorKaloni, Thaneshwor P.
dc.date.accessioned2014-01-15T07:44:29Z
dc.date.available2014-01-15T07:44:29Z
dc.date.issued2013-11
dc.identifier.doi10.25781/KAUST-467E8
dc.identifier.urihttp://hdl.handle.net/10754/311368
dc.description.abstractThis thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i. e. density functional theory)In Chapter III, we will introduce band gap opening in graphene either by introducing defects/doping or by creating superlattices with h-BN substrate. In Chapter IV, we will focus on the structural and electronic properties of K and Ge-intercalated graphene on SiC(0001). In addition, the enhancement of the superconducting transition temperature in Li-decorated graphene supported by h-BN substrate will be discussed. In Chapter V, we will discuss the vibrational properties of free-standing silicene. In addition, superlattices of silicene with h-BN as well as the phase transition in silicene by applying an external electric field will be discussed. The electronic and magnetic properties transition metal decorated silicene will be discussed, in particular the realization of the quantum anomalous Hall effect will be addressed. Furthermore, the structural, electronic, and magnetic properties of Mn decorated silicene supported by h-BN substrate will be discussed. The conclusion is included in Chapters VI. Finally, we will end with references and a list of publications for this thesis.
dc.language.isoen
dc.subjectGraphene
dc.subjectSilicene
dc.subjectSuperconductor
dc.subjectSemiconductor
dc.subjectDFT
dc.subjectElectronic Structure
dc.titleStructural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective
dc.typeDissertation
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
thesis.degree.grantorKing Abdullah University of Science and Technology
dc.contributor.committeememberAmassian, Aram
dc.contributor.committeememberHussain, Muhammad Mustafa
dc.contributor.committeememberManchon, Aurelien
dc.contributor.committeememberRoqan, Iman S.
thesis.degree.disciplineMaterial Science and Engineering
thesis.degree.nameDoctor of Philosophy
refterms.dateFOA2018-06-13T17:48:07Z


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