KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-12-05
Print Publication Date2017-01
Permanent link to this recordhttp://hdl.handle.net/10754/622665
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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.
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.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).