Analytical solution of a Hubbard model extended by nearest neighbour Coulomb and exchange interaction on a triangle and tetrahedron

TL;DR

This paper provides an exact analytical solution for an extended Hubbard model on small clusters, revealing how Coulomb and exchange interactions influence energy levels, degeneracies, and electron occupation.

Contribution

It offers the first closed-form analytical solutions for eigenvalues and eigenvectors of an extended Hubbard model on a triangle and tetrahedron, including effects of Coulomb and exchange interactions.

Findings

Degeneracies are partially lifted by antiferromagnetic exchange.

Moderate ferromagnetic exchange has minimal effect.

Repulsive Coulomb interaction fully lifts degeneracies.

Abstract

The Hubbard model extended by either nearest-neighbour Coulomb correlation and/or nearest neighbour Heisenberg exchange is solved analytically for a triangle and tetrahedron. All eigenvalues and eigenvectors are given as functions of the model parameters in a closed form. The groundstate crossings and degeneracies are discussed both for the canonical and grand-canonical energy levels. The grand canonical potential and the electron occupation of the related cluster gases were calculated for arbitrary values (attractive and repulsive) of the three interaction constants. In the pure Hubbard model we found various steps in the electron occupation higher than one. It is shown that the various degeneracies of the grand-canonical energy levels are partially lifted by an antiferromagnetic exchange interaction, whereas a moderate ferromagnetic exchange modifies only slightly the results of the pure Hubbard model. A repulsive nn Coulomb correlation lifts these degeneracies completely. The relation of the cluster gas results to extended systems is discussed.