Extended Hubbard model on a C$_{20}$ molecule
Abstract
The electronic correlations on a C molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength , are studied using quantum Monte Carlo and exact diagonalization methods. For electron doped C, it is known that pair-binding arising from a purely electronic mechanism is absent within the standard Hubbard model (V=0). Here we show that this is also the case for hole doping for and that, for both electron and hole doping, the effect of a non-zero is to work against pair-binding. We also study the magnetic properties of the neutral molecule, and find transitions between spin singlet and triplet ground states for either fixed or values. In addition, spin, charge and pairing correlation functions on C are computed. The spin-spin and charge-charge correlations are very short-range, although a weak enhancement in the pairing correlation is observed for a distance equal to the molecular diameter.
Cite
@article{arxiv.0706.0331,
title = {Extended Hubbard model on a C$_{20}$ molecule},
author = {Fei Lin and Erik S. Sørensen and Catherine Kallin and A. John Berlinsky},
journal= {arXiv preprint arXiv:0706.0331},
year = {2009}
}