English

Recursion and Path-Integral Approaches to the Analytic Study of the Electronic Properties of $C_{60}$

Materials Science 2009-10-22 v1

Abstract

The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral C60C_{60} molecule. We employ a tight-binding Hamiltonian which considers both the ss and pp valence electrons of carbon. From the recursion method, we obtain closed-form {\it analytic} expressions for the π\pi and σ\sigma eigenvalues and eigenfunctions, including the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) states, and the Green's functions. We also present the local densities of states around several ring clusters, which can be probed experimentally by using, for instance, a scanning tunneling microscope. {}From a path-integral method, identical results for the energy spectrum are also derived. In addition, the local density of states on one carbon atom is obtained; from this we can derive the degree of degeneracy of the energy levels.

Keywords

Cite

@article{arxiv.cond-mat/9312041,
  title  = {Recursion and Path-Integral Approaches to the Analytic Study of the Electronic Properties of $C_{60}$},
  author = {Yeong-Lieh Lin and Franco Nori},
  journal= {arXiv preprint arXiv:cond-mat/9312041},
  year   = {2009}
}

Comments

19 pages, RevTex, 6 figures upon request