4.6 Article

Electronic properties of graphene antidot lattices

Journal

NEW JOURNAL OF PHYSICS
Volume 11, Issue -, Pages -

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/1367-2630/11/9/095020

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Funding

  1. Villum Kann Rasmussen Foundation
  2. Danish Research Council FTP
  3. Danish Center for Scientific Computations (DCSC)
  4. Finnish Academy

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Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full tight-binding calculations and density functional theory (DFT) are necessary for more reliable predictions of the band structure. We compare the three computational approaches and investigate the role of hydrogen passivation within our DFT scheme.

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