Correlated Electronic Structures and the Phase Diagram of Hydrocarbon-based Superconductors

TL;DR

This study uses dynamical mean-field theory to explore the electronic structures and phase diagrams of electron-doped hydrocarbon superconductors, revealing multi-band Fermi liquids as the ground state and highlighting the role of molecular orbital splitting in superconductivity.

Contribution

It demonstrates that molecular orbital splitting influences superconductivity and shows the importance of multi-band effects in hydrocarbon-based superconductors.

Findings

Ground state of electron-doped picene and coronene is a multi-band Fermi liquid.

Non-superconducting pentacene is a single-band Fermi liquid near metal-insulator transition.

Molecular orbital energy level splitting is key to superconductivity.

Abstract

We have investigated correlated electronic structures and the phase diagram of electron-doped hydrocarbon molecular solids, based on the dynamical mean-field theory. We have found that the ground state of hydrocarbon-based superconductors such as electron-doped picene and coronene is a multi-band Fermi liquid, while that of non-superconducting electron-doped pentacene is a single-band Fermi liquid in the proximity of the metal-insulator transition. The size of the molecular orbital energy level splitting plays a key role in producing the superconductivity of electron-doped hydrocarbon solids. The multi-band nature of hydrocarbon solids would boost the superconductivity through the enhanced density of states at the Fermi level.