Effect of zero-point motion on the superconducting transition temperature of PdH(D)

Abstract

Using self-consistent density functional formalism we show that the electronic structure of PdH(D) is influenced by the zero-point vibration of hydrogen and deuterium. This quantum effect makes a small but significant contribution to the superconducting transition temperature ${T}_{c}$ of PdH(D). The reverse isotope effect on ${T}_{c}$ is found to be dominated by the changes in the force constants between PdH and PdD.