2009/07/31 by Joachim A. Fuerst, J. A. Fürst, Jesper G. Pedersen +8 · 1 citation
Materials Science · Physics and Astronomy · #2D Materials and Applications #Graphene research and applications #Quantum and electron transport phenomena #cond-mat.mes-hall
paper · pdf · doi:10.1088/1367-2630/11/9/095020
published as New J. Phys. 11 (2009) 095020 · 19 pages, 10 figures, 1 table, final version of invited paper to focus issue on graphene in New Journal of Physics
openalex publication_date 2009/09/30 · arxiv created 2009/10/01 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/30
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.