Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, [n]triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-[n]triangulenes. Using the analytical solution for degenerate states of an all-carbon [n]triangulene as a basis for a [n]triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment.

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Publication Details

Journal
Solid State Communications
Published
2025-03-11
DOI
https://doi.org/10.1016/j.ssc.2025.115899
Primary Topic
Graphene research and applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

James Lawrence, Alina Wania Rodrigues, Paweł Hawrylak, Daniel Miravet
Solid State Communications
Graphene research and applications
article

Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

James Lawrence, Alina Wania Rodrigues, Paweł Hawrylak, Daniel Miravet
article en

Abstract

We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, [n]triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-[n]triangulenes. Using the analytical solution for degenerate states of an all-carbon [n]triangulene as a basis for a [n]triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment.

Solid State CommunicationsVol. 401
University of Ottawa (CA), National University of Singapore (SG)
Columbia University, University of Ottawa, Agency for Science, Technology and Research, Alliance de recherche numérique du Canada, Natural Sciences and Engineering Research Council of Canada, National Research Council Canada
Affordable and clean energy
Openalex Percentile: Top 97%
Graphene research and applications
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