Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D${}_{2.9}$: A Signature of Quantum Zero-Point Fluctuations

Abstract

Guided by first-principles calculations, we demonstrate superconductivity in the ternary perovskite hydride SrPdH${}_{3-x}$, synthesized at low pressure. Structural characterization via neutron diffraction reveals the near-stoichiometric composition SrPdD${}_{2.9(2)}$ with 96\% deuterium site occupancy. Subsequent transport and magnetic susceptibility measurements establish onset superconducting transitions at $T_\text{c} = \SI{2.1}{K} $ (H) and $T_\text{c} = \SI{2.2}{K} $ (D), exhibiting an inverse isotope effect that our first-principles calculations attribute predominantly to quantum zero-point motion. The excellent agreement between theory and experiment with respect to thermodynamic stability and superconducting properties provides important validation for theory-guided superconductor discovery. This work establishes superconductivity in the perovskite hydride structural prototype -- expanding the limited family of experimentally realized ternary hydride superconductors -- and demonstrates the importance of quantum nuclear motion on the accurate theoretical treatment of low-pressure hydride superconductors.