Symmetry induced semimetal-semiconductor transition in doped graphene

Substitutional chemical doping is one way of introducing an electronic bandgap in otherwise semimetallic graphene. A small change in dopant arrangement can convert graphene from a semiconducting to a semimetallic state. Based on ab initio Density Functional Theory calculations, we discuss the electr...

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Published in:Scientific reports 2016-01, Vol.6 (1), p.19115-19115, Article 19115
Main Authors: Sirikumara, Hansika I., Putz, Erika, Al-Abboodi, Mohammed, Jayasekera, Thushari
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Language:English
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119/118
639/301/1034/1038
639/766/119/995
639/925/357/1018
Defects
Humanities and Social Sciences
multidisciplinary
Periodicity
Science
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cited_by cdi_FETCH-LOGICAL-c438t-45df41f63393dea4ea002b83b430bec65b4a522ea7d9dafbe0644088f12b4a3f3
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description Substitutional chemical doping is one way of introducing an electronic bandgap in otherwise semimetallic graphene. A small change in dopant arrangement can convert graphene from a semiconducting to a semimetallic state. Based on ab initio Density Functional Theory calculations, we discuss the electron structure of BN-doped graphene with Bravais and non-Bravais lattice-type defect patterns, identifying semiconducting/semimetallic configurations. Semimetallic behavior of graphene with non-Bravais lattice-type defect patterns can be explained by a phase cancellation in the scattering amplitude. Our investigation reveals for the first time that the symmetry of defect islands and the periodicity of defect modulation limit the phase cancellation which controls the semimetal-semiconductor transition in doped graphene.
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subjects 119/118
639/301/1034/1038
639/766/119/995
639/925/357/1018
Defects
Humanities and Social Sciences
multidisciplinary
Periodicity
Science
title Symmetry induced semimetal-semiconductor transition in doped graphene
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