Random walks and the electronic structure of graphene
Results from the mathematical literature on random walks reveal a closed-form analytical expression for the π-energy and bond number of graphene in the simplest tight-binding model and its Hartree-Fock Hubbard extension. Closed-form expressions follow for all π spectral moments of graphene. Bond numbers of carbon and boron nitride (BN) zigzag nanotubes are found as finite sums, with graphene and hexagonal boron nitride sheets as asymptotes.
Authors
- Barry T. Pickup (ORCID: https://orcid.org/0000-0002-2728-5486)
- Patrick W. Fowler
- Primož Potočnik
- Nino Bašić
Institutions
- University of Primorska (SI)
- University of Ljubljana (SI)
- Institute of Mathematics, Physics, and Mechanics (SI)
- University of Sheffield (GB)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2026-03-09
- DOI
- https://doi.org/10.1063/5.0319282
- Primary Topic
- Graphene research and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00