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Hexagonal graphene quantum dots
Author(s) -
Ghosh S.,
Schwingenschlögl U.
Publication year - 2017
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201600226
Subject(s) - zigzag , graphene , quantum dot , condensed matter physics , wave function , hexagonal crystal system , density functional theory , quantum , ground state , materials science , monotonic function , electronic structure , function (biology) , band gap , physics , nanotechnology , quantum mechanics , geometry , chemistry , mathematics , crystallography , mathematical analysis , evolutionary biology , biology
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. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)