Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

Handle URI:
http://hdl.handle.net/10754/311368
Title:
Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective
Authors:
Kaloni, Thaneshwor P.
Abstract:
This 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.
Advisors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Committee Member:
Amassian, Aram ( 0000-0002-5734-1194 ) ; Hussain, Muhammad Mustafa ( 0000-0003-3279-0441 ) ; Manchon, Aurelien ( 0000-0002-4768-293X ) ; Roqan, Iman
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Program:
Materials Science and Engineering
Issue Date:
Nov-2013
Type:
Dissertation
Appears in Collections:
Dissertations; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program

Full metadata record

DC FieldValue Language
dc.contributor.advisorSchwingenschlögl, Udoen
dc.contributor.authorKaloni, Thaneshwor P.en
dc.date.accessioned2014-01-15T07:44:29Z-
dc.date.available2014-01-15T07:44:29Z-
dc.date.issued2013-11en
dc.identifier.urihttp://hdl.handle.net/10754/311368en
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.en
dc.language.isoenen
dc.subjectGrapheneen
dc.subjectSiliceneen
dc.subjectSuperconductoren
dc.subjectSemiconductoren
dc.subjectDFTen
dc.subjectElectronic Structureen
dc.titleStructural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspectiveen
dc.typeDissertationen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
thesis.degree.grantorKing Abdullah University of Science and Technologyen_GB
dc.contributor.committeememberAmassian, Aramen
dc.contributor.committeememberHussain, Muhammad Mustafaen
dc.contributor.committeememberManchon, Aurelienen
dc.contributor.committeememberRoqan, Imanen
thesis.degree.disciplineMaterials Science and Engineeringen
thesis.degree.nameDoctor of Philosophyen
dc.person.id115672en
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