| Title: |
Large impact of phonon lineshapes on the superconductivity of solid hydrogen |
| Authors: |
Dangić Ð.; Monacelli L.; Bianco R.; Mauri F.; Errea I. |
| Contributors: |
Dangić, Ð.; Monacelli, L.; Bianco, R.; Mauri, F.; Errea, I. |
| Publication Year: |
2024 |
| Collection: |
Archivio della ricerca dell'Università di Modena e Reggio Emilia (Unimore: IRIS) |
| Description: |
Phonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon quasiparticle picture obsolete questioning standard approaches for modeling superconductivity in these material systems. In this work, we show the effects of non-Lorentzian phonon lineshapes on the superconductivity of high-pressure solid hydrogen. We calculate the superconducting critical temperature TC ab initio considering the full phonon spectral function and show that it overall enhances the TC estimate. The anharmonicity-induced phonon softening exhibited in spectral functions increases the estimate of the critical temperature, while the broadening of phonon lines due to phonon-phonon interaction decreases it. Our calculations also reveal that superconductivity emerges in hydrogen in the C m c a - 12 molecular phase VI at pressures between 450 and 500 GPa and explain the disagreement between the previous theoretical results and experiments.This work studies the effects of non-gaussian phonon lineshapes from stochastic self-consistent harmonic approximation on the superconducting critical temperature (Tc) of hydrogen at high pressure. It predicts superconductivity in the Cmca-12 phase between 450 and 500 GPa and an increase in Tc for both the Cmca-12 and the I41/amd-2 structures compared to harmonic calculations. |
| Document Type: |
article in journal/newspaper |
| Language: |
English |
| Relation: |
info:eu-repo/semantics/altIdentifier/wos/WOS:001217605300002; volume:7; issue:1; firstpage:1; lastpage:7; journal:COMMUNICATIONS PHYSICS; https://hdl.handle.net/11380/1371568 |
| DOI: |
10.1038/s42005-024-01643-4 |
| Availability: |
https://hdl.handle.net/11380/1371568; https://doi.org/10.1038/s42005-024-01643-4 |
| Rights: |
info:eu-repo/semantics/openAccess ; license:[IR] creative-commons ; license uri:http://creativecommons.org/licenses/by/4.0/ |
| Accession Number: |
edsbas.437DC79C |
| Database: |
BASE |