Buckled graphene: A model study based on density functional theory

Handle URI:
http://hdl.handle.net/10754/561531
Title:
Buckled graphene: A model study based on density functional theory
Authors:
Khan, Yasser; Mukaddam, Mohsin Ahmed ( 0000-0002-0751-7876 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
Sep-2010
DOI:
10.1016/j.cplett.2010.08.059
Type:
Article
ISSN:
00092614
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKhan, Yasseren
dc.contributor.authorMukaddam, Mohsin Ahmeden
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-02T09:13:35Zen
dc.date.available2015-08-02T09:13:35Zen
dc.date.issued2010-09en
dc.identifier.issn00092614en
dc.identifier.doi10.1016/j.cplett.2010.08.059en
dc.identifier.urihttp://hdl.handle.net/10754/561531en
dc.description.abstractWe make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.en
dc.publisherElsevier BVen
dc.titleBuckled graphene: A model study based on density functional theoryen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemical Physics Lettersen
kaust.authorSchwingenschlögl, Udoen
kaust.authorKhan, Yasseren
kaust.authorMukaddam, Mohsin Ahmeden
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