The two dimensional Hubbard model: A theoretical tool for molecular electronics

Abstract

When speaking about molecular electronics, the obvious question which occurs is how does one study it theoretically. The simplest theoretical model suitable for application in molecular electronics is the two dimensional Hubbard model. The aim of the present paper is to introduce this model, and give some examples of the systems which it can describe. After a short mathematically oriented discussion, it will be shown how to calculate the electrical conductivity of a particular planar system: a rectangular lattice with mutually independent conductivities along the two axes,but without using the 2D Hamiltonian. This system could find applications in high Tc studies. It will finally be shown that the electrical conductivity of graphene can be determined not by using the full formalism of the 2D Hubbard model, but by a slight reformulation of the Hamiltonian of the 1D Hubbard model. © 2010 IOP Publishing Ltd.