Phenomenological Potential Wells for C60 Shell

TL;DR

This paper investigates phenomenological potential models for the C60 shell, showing that realistic potentials should have a non-flat bottom and proposing two types of such models based on charge density assumptions.

Contribution

It introduces new phenomenological potential models for the C60 shell that account for non-flat bottom shapes, contrasting with previous simplified models.

Findings

Potential created by double charge layers contradicts molecular structure

Calculated C60 shell potential based on averaged charge density

Proposed potential models with non-flat bottoms fit the C60 structure better

Abstract

A spatial distribution of electric charges forming a square potential well has been studied. It is shown that this potential is created by two spherical double charge layers, which is in contradiction with a real molecular structure of C60 cage. A C60 shell potential has been calculated in the assumption that it is formed by the averaged charge density of a neutral atom. It is shown that the phenomenological potentials simulating the C60 shell potential should be selected from a family of potentials with a none-flat bottom. Two possible types of C60 model potentials have been considered and their parameters have been calculated.