English

Symmetry and optical selection rules in graphene quantum dots

Materials Science 2018-03-14 v3

Abstract

Graphene quantum dots (GQD's) have optical properties which are very different from those of an extended graphene sheet. In this Article we explore how the size, shape and edge--structure of a GQD affect its optical conductivity. Using representation theory, we derive optical selection rules for regular-shaped dots, starting from the symmetry properties of the current operator. We find that, where the x- and y-components of the current operator transform with the same irreducible representation (irrep) of the point group - for example in triangular or hexagonal GQD's - the optical conductivity is independent of the polarisation of the light. On the other hand, where these components transform with different irreps - for example in rectangular GQD's - the optical conductivity depends on the polarisation of light. We find that GQD's with non-commuting point-group operations - for example dots of rectangular shape - can be distinguished from GQD's with commuting point-group operations - for example dots of triangular or hexagonal shape - by using polarized light. We carry out explicit calculations of the optical conductivity of GQD's described by a simple tight--binding model and, for dots of intermediate size, \textcolor{blue}{(10L50 nm10 \lesssim L \lesssim 50\ \text{nm})} find an absorption peak in the low--frequency range of the spectrum which allows us to distinguish between dots with zigzag and armchair edges. We also clarify the one-dimensional nature of states at the van Hove singularity in graphene, providing a possible explanation for very high exciton-binding energies. Finally we discuss the role of atomic vacancies and shape asymmetry.

Keywords

Cite

@article{arxiv.1610.01921,
  title  = {Symmetry and optical selection rules in graphene quantum dots},
  author = {Rico Pohle and Eleftheria G. Kavousanaki and Keshav M. Dani and Nic Shannon},
  journal= {arXiv preprint arXiv:1610.01921},
  year   = {2018}
}

Comments

24 pages, 15 figures

R2 v1 2026-06-22T16:13:14.732Z