Optical absorption spectra of A6C60: Reduction of effective Coulombinteractions

TL;DR

This paper investigates the optical absorption spectra of heavily doped C60 molecules, revealing a significant reduction in effective Coulomb interactions due to doping, using theoretical models and computational methods.

Contribution

It introduces a theoretical analysis of optical spectra in A6C60, demonstrating reduced Coulomb interactions in heavily doped fullerites compared to neutral C60.

Findings

Coulomb interaction parameters are about half in A6C60 compared to neutral C60.

Optical spectra are modeled using Hartree-Fock and CI methods.

Reduction of effective Coulomb interactions is confirmed in heavily doped cases.

Abstract

Optical absorption spectra of C60^6- are theoretically investigated in order to analyze the optical properties of alkali metal doped fullerites A6C60. We use a tight binding model with long ranged Coulomb interactions and bond disorder. Optical spectra are obtained by the Hartree-Fock approximation and the CI method. The Coulomb interaction parameters which are relevant to the optical spectra of A6C60 are almost the half of those of the neutral C60. The reduction of the effective Coulomb interactions is concluded for the heavily doped case of C60.