Dynamic Jahn-Teller effect in electron transport through single C60 molecules

TL;DR

This paper investigates the dynamic Jahn-Teller effect in electron transport through single C60 molecules, combining experimental spectra with theoretical calculations to explain observed fine structures.

Contribution

It introduces a detailed theoretical model that accurately reproduces experimental tunneling spectra by incorporating electron-phonon couplings from density functional theory.

Findings

Excellent agreement between calculated and measured spectra

Identification of the dynamic Jahn-Teller effect as the cause of fine structure

Validation of electron-phonon coupling parameters from DFT

Abstract

Scanning tunneling spectra on single C60 molecules that are sufficiently decoupled from the substrate exhibit a characteristic fine structure, which is explained as due to the dynamic Jahn-Teller effect. Using electron-phonon couplings extracted from density functional theory we calculate the tunneling spectrum through the C60- anionic state and find excellent agreement with measured data.