Random walks and the electronic structure of graphene
Abstract
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.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (4)
Nino Bašić
FAMNIT, University of Primorska 1 , Koper,
Patrick W. Fowler
Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,
Barry T. Pickup
Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,
Primož Potočnik
Institute of Mathematics, Physics and Mechanics 3 , Ljubljana,