Quantum dimer model on fullerenes: resonance, scarring and confinement

TL;DR

This paper models the quantum resonance phenomena in large fullerene molecules using quantum dimer models, revealing complex spectral features, dimer correlations, and defect confinement, bridging chemistry and condensed matter physics.

Contribution

It introduces a quantum dimer model for fullerenes, characterizing their ground states, spectrum, and defect dynamics, providing new insights into molecular resonance and confinement.

Findings

C60 ground state is a superposition of 5828 dimer covers

Spectrum exhibits zero-energy states and scar-like states

Vacancy pairs show confinement behavior with lowest resonance energy nearby

Abstract

The earliest known examples of quantum superposition were found in organic chemistry -- in molecules that `resonate' among multiple arrangements of $\pi$-bonds. Small molecules such as benzene resonate among a few bond arrangements. In contrast, a large system that stretches over a macroscopic lattice may resonate among an extensive number of configurations. This is analogous to a quantum spin liquid as described by Anderson's resonating valence bond (RVB) picture. In this article, we study the intermediate case of somewhat large molecules, the C$_{20}$ and C$_{60}$ fullerenes. We build a minimal description in terms of quantum dimer models, allowing for local resonance processes and repulsion between proximate $\pi$-bonds. This allows us to characterize ground-states, e.g., with C$_{60}$ forming a superposition of 5828 dimer covers. Despite the large number of contributing dimer covers, the ground state shows strong dimer-dimer correlations. Going beyond the ground state, the full spectrum of C$_{60}$ shows many interesting features. Its Hilbert space is bipartite, leading to spectral reflection symmetry. It has a large number of protected zero-energy states. In addition, the spectrum contains many scar-like states, corresponding to localized dimer-rearrangement-dynamics. Resonance dynamics in QDMs can manifest in the behaviour of defects, potentially binding defects via an effective attractive interaction. To test this notion, we introduce pairs of vacancies at all possible separations. Resonance energy reaches its lowest value when the vacancies are closest to one another. This suggests confinement of monomers, albeit within a finite cluster. We discuss qualitative pictures for understanding bonding in fullerenes and draw connections with results from quantum chemistry.