Superconductivity in Solid Benzene Molecular Crystal

TL;DR

This study uses first-principles calculations to predict superconductivity in solid benzene under high pressure, revealing a maximum transition temperature of 20 K and identifying carbon phonon modes as key contributors.

Contribution

It provides the first theoretical prediction of superconductivity in solid benzene, highlighting its stability and electron-phonon interactions at high pressures.

Findings

Benzene is dynamically stable between 180-200 GPa.

Superconductivity with Tc up to 20 K at 195 GPa.

Carbon phonon modes mainly drive the electron-phonon interactions.

Abstract

Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of first-principles calculations are performed on the electronic structures, dynamics properties, and electron-phonon interactions of solid benzene at high pressures. Benzene is found to be dynamically stable in the pressure range of 180 - 200 GPa and to exhibit superconductivity with a maximum transition temperature of 20 K at 195 GPa. The phonon modes of carbon atoms are identified to mainly contribute to the electron-phonon interactions driving this superconductivity. The predicted superconductivity in this simplest pristine hydrocarbon shows a common feature in aromatic hydrocarbons and also makes it a bridge to organic and hydrogen-rich superconductors.