Model Potentials for a C60 Shell

TL;DR

This paper models the C60 shell potential using charge distribution analysis and proposes two new potential models, enhancing understanding of the electronic structure of fullerene molecules.

Contribution

It introduces two novel phenomenological potentials for the C60 shell based on charge density assumptions and analyzes their properties.

Findings

C60 shell potential modeled as a double-layer charge distribution

Proposed two types of model potentials with calculated parameters

Identified potentials with non-flat bottom as suitable for C60

Abstract

The spatial distribution of electric charges forming a square well potential has been analyzed. It is shown that this potential is created by two concentric spheres with a double layer of charges. A C60 shell potential has been calculated under the assumption that it is formed by the averaged charge density of a neutral atom. It is further demonstrated that the phenomenological potentials simulating the C60 shell potential belong to a family of potentials with a non-flat bottom. Two possible types of C60 model potentials are proposed and their parameters have been calculated. AMS (MOS) Subject Classification. 62P35, 81V55