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

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Hauptverfasser: Lu, Wencheng, Sahoo, Mihir, Lucrezi, Roman, Hutcheon, Michael J., Sinha, Shubham, Ferreira, Pedro N., Pickard, Chris J., Zhang, Qiang, Julian, Matthew N., Prasankumar, Rohit P., Heil, Christoph, Strobel, Timothy A.
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Veröffentlicht: 2026
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author Lu, Wencheng
Sahoo, Mihir
Lucrezi, Roman
Hutcheon, Michael J.
Sinha, Shubham
Ferreira, Pedro N.
Pickard, Chris J.
Zhang, Qiang
Julian, Matthew N.
Prasankumar, Rohit P.
Heil, Christoph
Strobel, Timothy A.
author_facet Lu, Wencheng
Sahoo, Mihir
Lucrezi, Roman
Hutcheon, Michael J.
Sinha, Shubham
Ferreira, Pedro N.
Pickard, Chris J.
Zhang, Qiang
Julian, Matthew N.
Prasankumar, Rohit P.
Heil, Christoph
Strobel, Timothy A.
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2602_23691
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D$_{2.9}$: A Signature of Quantum Zero-Point Fluctuations
Lu, Wencheng
Sahoo, Mihir
Lucrezi, Roman
Hutcheon, Michael J.
Sinha, Shubham
Ferreira, Pedro N.
Pickard, Chris J.
Zhang, Qiang
Julian, Matthew N.
Prasankumar, Rohit P.
Heil, Christoph
Strobel, Timothy A.
Superconductivity
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.
title Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D$_{2.9}$: A Signature of Quantum Zero-Point Fluctuations
topic Superconductivity
url https://arxiv.org/abs/2602.23691