Isotope effect in superconducting lanthanum hydride under high compression

preprint2020arXivOpen access

Abstract

Recently, the discovery of room-temperature superconductivity (SC) was experimentally realized in the fcc phase of LaH10_{10} under megabar pressure. Specifically, the isotope effect of TcT_{\rm c} was measured by the replacement of hydrogen (H) with deuterium (D), demonstrating a driving role of phonons in the observed room-temperature SC. Herein, based on the first-principles calculations within the harmonic approximation, we reveal that (i) the identical electron-phonon coupling constants of fcc LaH10_{10} and LaD10_{10} decrease monotonously with increasing pressure and (ii) the isotope effect of TcT_{\rm c} is nearly proportional to M−αM^{-α} (MM: ionic mass) with αα ≈{\approx} 0.465, irrespective of pressure. The predicted value of αα agrees well with the experimental one (α=0.46α=0.46) measured at around 150 GPa. Thus, our findings provide a theoretical confirmation of the conventional electron-phonon coupling mechanism in a newly discovered room-temperature superconductor of compressed LaH10_{10}.

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