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dc.contributor.authorLaref, A.
dc.contributor.authorAlsagri, M.
dc.contributor.authorAlay-E-Abbas, Syed Muhammad
dc.contributor.authorLaref, Slimane
dc.contributor.authorHuang, H. M.
dc.contributor.authorXiong, Y. C.
dc.contributor.authorYang, J. T.
dc.contributor.authorKhandy, Shakeel Ahmad
dc.contributor.authorRai, Dibya Prakash
dc.contributor.authorVarshney, Dinesh
dc.contributor.authorWu, Xiaozhi
dc.date.accessioned2020-01-13T08:36:08Z
dc.date.available2020-01-13T08:36:08Z
dc.date.issued2019-11-08
dc.identifier.citationLaref, A., Alsagri, M., Alay-e-Abbas, S. M., Laref, S., Huang, H. M., Xiong, Y. C., … Wu, X. (2019). Electronic structure and optical characteristics of AA stacked bilayer graphene: A first principles calculations. Optik, 163755. doi:10.1016/j.ijleo.2019.163755
dc.identifier.doi10.1016/j.ijleo.2019.163755
dc.identifier.urihttp://hdl.handle.net/10754/660991
dc.description.abstractFirst-principle calculations based on full potential linearized augmented plane-wave method have been performed to investigate the electronic and optical properties of 1 × 1 and 2 × 2 supercells of non-Bernal AA stacked bilayer graphene. The exchange-correlation effects in the present work have been treated using the local density approximation which show good agreement of the calculated structural and electronic properties with previous reports. From the calculated electronic properties, semimetallic nature is found for 1 × 1 supercell of bilayer graphene, while a pseudogap is observed for the 2 × 2 supercell. Our results indicate that the pseudogap in 2 × 2 supercell of bilayer graphene originates from the increased number of valence and conduction band states contributing in the electronic structure of this configuration and suppressing the states in the vicinity of Fermi level. In order to understand the effects of non-Bernal AA stacking of two graphene layers on the optical response, we have computed the optical properties in terms of complex dielectric function for electromagnetic radiations having polarization vectors parallel and perpendicular to the xy-plane. Our calculated optical properties show a significant enhancement of optical absorption of electromagnetic radiations having polarization vector parallel to xy-plane, which is ascribed to the augmentation of 2D honeycomb lattice of carbon atoms in form of bilayer graphene. These results highlight tunable electronic and optical characteristics of graphene that might prove advantageous for its employment in electronic devices.
dc.description.sponsorshipThis research project was supported by a grant from the “Research Center of the Female Scientific and Medical Colleges”, Deanship of Scientific Research, King Saud University.
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S0030402619316535
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Optik. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Optik, [[Volume], [Issue], (2019-11-08)] DOI: 10.1016/j.ijleo.2019.163755 . © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleElectronic structure and optical characteristics of AA stacked bilayer graphene: A first principles calculations
dc.typeArticle
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalOptik
dc.rights.embargodate2021-11-08
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Physics and Astronomy, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia
dc.contributor.institutionComputational Materials Modeling Laboratory, Department of Physics, Government College University Faisalabad, Faisalabad, 38040, Pakistan
dc.contributor.institutionSchool of Science, Hubei University of Automotive Technology, China
dc.contributor.institutionCondensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, 474011, India
dc.contributor.institutionCondensed Matter Theory Research Group, Department of Physics, Mizoram University, Aizawl, Mizoram 796004, India
dc.contributor.institutionMaterials Science laboratory, School of Physics, Devi Ahilya University, Indore, 452001, India
dc.contributor.institutionInstitute for Structure and Function, Chongqing University, Chongqing, 401331, China
kaust.personLaref, Slimane
dc.date.published-online2019-11-08
dc.date.published-print2019-11


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