Buckled graphene: A model study based on density functional theory
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Electrical Engineering Program
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2010-09Permanent link to this record
http://hdl.handle.net/10754/561531
Metadata
Show full item recordAbstract
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.Citation
Khan, M. A., Mukaddam, M. A., & Schwingenschlögl, U. (2010). Buckled graphene: A model study based on density functional theory. Chemical Physics Letters, 498(1-3), 157–161. doi:10.1016/j.cplett.2010.08.059Publisher
Elsevier BVJournal
Chemical Physics Lettersae974a485f413a2113503eed53cd6c53
10.1016/j.cplett.2010.08.059