Isotope effect in superconducting lanthanum hydride under high compression
- 1 June 2020
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 101 (21) , 214501
Abstract
Recently, the discovery of room-temperature superconductivity (SC) was experimentally realized in the fcc phase of under megabar pressure. Specifically, the isotope effect of 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 and decrease monotonously with increasing pressure and (ii) the isotope effect of is nearly proportional to (: ionic mass) with 0.465, irrespective of pressure. The predicted value of agrees well with the experimental one () measured at around 150 GPa. Thus, our findings provide a theoretical confirmation of the conventional electron-phonon coupling mechanism in a recently discovered room-temperature superconductor of compressed .
Keywords
All Related Versions
Funding Information
- Narodowe Centrum Nauki (2016/23/D/ST3/02109)
- Ministerstwo Nauki i Szkolnictwa Wyższego (406/STYP/13/2018)
- National Research Foundation of Korea (2019R1A2C1002975, 2016K1A4A3914691, 2015M3D1A1070609)
- National Natural Science Foundation of China (11722433)
- Six Talent Peaks Project in Jiangsu Province
This publication has 51 references indexed in Scilit:
- The properties of hydrogen and helium under extreme conditionsReviews of Modern Physics, 2012
- Superconductive sodalite-like clathrate calcium hydride at high pressuresProceedings of the National Academy of Sciences, 2012
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materialsJournal of Physics: Condensed Matter, 2009
- Diamond anvil cell, 50th birthdayHigh Pressure Research, 2009
- Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basisComputational Materials Science, 2003
- Phonons and related crystal properties from density-functional perturbation theoryReviews of Modern Physics, 2001
- Iterative analytic continuation of the electron self-energy to the real axisPhysical Review B, 1988
- Metallic Hydrogen: A High-Temperature Superconductor?Physical Review Letters, 1968
- Microscopic Theory of SuperconductivityPhysical Review B, 1957
- Superconductivity of Isotopes of MercuryPhysical Review B, 1950