Random walks and the electronic structure of graphene

N Nino Bašić (FAMNIT, University of Primorska 1 , Koper,) P Patrick W. Fowler (Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,) B Barry T. Pickup (Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,) P Primož Potočnik (Institute of Mathematics, Physics and Mechanics 3 , Ljubljana,)

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

Volume / Issue Vol. 164, Issue 10
Published March 14, 2026
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (4)

N

Nino Bašić

FAMNIT, University of Primorska 1 , Koper,

P

Patrick W. Fowler

Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,

B

Barry T. Pickup

Chemistry, School of Mathematics and Physical Sciences, University of Sheffield 4 , Sheffield S3 7HF,

P

Primož Potočnik

Institute of Mathematics, Physics and Mechanics 3 , Ljubljana,