Why mercury is a superconductor

Despite being the oldest known superconductor, solid mercury is mysteriously absent from all current compu-tational databases of superconductors. In this Research Letter, we present a critical study of its superconducting properties based on state-of-the-art superconducting density functional theory. Our calculations reveal numerous anomalies in electronic and lattice properties, which can mostly be handled, with due care, by modern ab initio techniques. In particular, we highlight an anomalous role of spin-orbit coupling in the dynamical stability and of semicore d levels in the effective Coulomb interaction and, ultimately, the critical temperature.

Automated summary

This article presents a critical study of the superconducting properties of solid mercury, revealing anomalies in electronic and lattice properties that can be handled with modern ab initio techniques. The role of spin-orbit coupling and semicore d levels in affecting the critical temperature is highlighted.