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- Title
Large impact of phonon lineshapes on the superconductivity of solid hydrogen.
- Authors
Dangić, Ðorđe; Monacelli, Lorenzo; Bianco, Raffaello; Mauri, Francesco; Errea, Ion
- Abstract
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 Cmca − 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.
- Subjects
SUPERCONDUCTIVITY; PHONON-phonon interactions; PHONONS; SUPERCONDUCTING transition temperature; CRITICAL temperature; HYDROGEN
- Publication
Communications Physics, 2024, Vol 7, Issue 1, p1
- ISSN
2399-3650
- Publication type
Article
- DOI
10.1038/s42005-024-01643-4