Hexagonal graphene quantum dots

Handle URI:
http://hdl.handle.net/10754/622665
Title:
Hexagonal graphene quantum dots
Authors:
Ghosh, S.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We study hexagonal graphene quantum dots, using density functional theory, to obtain a quantitative description of the electronic properties and their size dependence, considering disk and ring geometries with both armchair and zigzag edges. We show that the electronic properties of quantum dots with armchair edges are more sensitive to structural details than those with zigzag edges. As functions of the inner and outer radii, we find in the case of armchair edges that the size of the band gap follows distinct branches, while in the case of zigzag edges it changes monotonically. This behaviour is further analyzed by studying the ground state wave function and explained in terms of its localisation.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Ghosh S, Schwingenschlögl U (2016) Hexagonal graphene quantum dots. physica status solidi (RRL) - Rapid Research Letters. Available: http://dx.doi.org/10.1002/pssr.201600226.
Publisher:
Wiley-Blackwell
Journal:
physica status solidi (RRL) - Rapid Research Letters
Issue Date:
5-Dec-2016
DOI:
10.1002/pssr.201600226
Type:
Article
ISSN:
1862-6254
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://onlinelibrary.wiley.com/doi/10.1002/pssr.201600226/full
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorGhosh, S.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-01-09T11:52:22Z-
dc.date.available2017-01-09T11:52:22Z-
dc.date.issued2016-12-05en
dc.identifier.citationGhosh S, Schwingenschlögl U (2016) Hexagonal graphene quantum dots. physica status solidi (RRL) - Rapid Research Letters. Available: http://dx.doi.org/10.1002/pssr.201600226.en
dc.identifier.issn1862-6254en
dc.identifier.doi10.1002/pssr.201600226en
dc.identifier.urihttp://hdl.handle.net/10754/622665-
dc.description.abstractWe study hexagonal graphene quantum dots, using density functional theory, to obtain a quantitative description of the electronic properties and their size dependence, considering disk and ring geometries with both armchair and zigzag edges. We show that the electronic properties of quantum dots with armchair edges are more sensitive to structural details than those with zigzag edges. As functions of the inner and outer radii, we find in the case of armchair edges that the size of the band gap follows distinct branches, while in the case of zigzag edges it changes monotonically. This behaviour is further analyzed by studying the ground state wave function and explained in terms of its localisation.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherWiley-Blackwellen
dc.relation.urlhttp://onlinelibrary.wiley.com/doi/10.1002/pssr.201600226/fullen
dc.subjectBand gapen
dc.subjectEdgesen
dc.subjectFirst-principles calculationsen
dc.subjectGrapheneen
dc.subjectQuantum dotsen
dc.titleHexagonal graphene quantum dotsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalphysica status solidi (RRL) - Rapid Research Lettersen
kaust.authorGhosh, S.en
kaust.authorSchwingenschlögl, Udoen
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