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Search for ambient superconductivity in the Lu-N-H system

البحث عن الموصلية الفائقة المحيطة في نظام Lu - N - H
Authors: Pedro P. Ferreira; Lewis J. Conway; Alessio Cucciari; Simone Di Cataldo; Federico Giannessi; Eva Kogler; Luiz T. F. Eleno; +3 Authors

Search for ambient superconductivity in the Lu-N-H system

Abstract

AbstractMotivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the phase diagram of the Lu–N–H system, looking for superconducting phases. We combined ab initio crystal structure prediction with ephemeral data-derived interatomic potentials to sample over 200,000 different structures. Out of the more than 150 structures predicted to be metastable within ~50 meV from the convex hull we identify 52 viable candidates for conventional superconductivity, for which we computed their superconducting properties from Density Functional Perturbation Theory. Although for some of these structures we do predict a finite superconductingTc, none is even remotely compatible with room-temperature superconductivity as reported by Dasenbrock et al. Our work joins the broader community effort that has followed the report of near-ambient superconductivity, confirming beyond reasonable doubt that no conventional mechanism can explain the reportedTcin Lu–N–H.

Countries
United Kingdom, Italy
Keywords

Superconductivity, superconductivity; hydrides; room-temperature; ambient pressure; crystal structure prediction, Science, FOS: Physical sciences, Phase (matter), Quantum mechanics, Article, Crystal structure prediction, Superconductivity (cond-mat.supr-con), Inorganic Chemistry, Metastability, FOS: Chemical sciences, Crystal Structure Prediction, Unconventional Superconductivity, Condensed Matter - Materials Science, Lu-N-H, Condensed Matter - Superconductivity, Physics, Q, Materials Science (cond-mat.mtrl-sci), FOS: Earth and related environmental sciences, 5104 Condensed Matter Physics, Superconductivity in Heavy Fermion Systems, Condensed Matter Physics, Condensed matter physics, Materials science, Phase diagram, High-temperature superconductivity, Electron-phonon interactions, Earth and Planetary Sciences, Chemistry, Room-temperature superconductor, Geophysics, Physics and Astronomy, Physical Sciences, Mantle Dynamics and Earth's Structure, Ambient pressure, Thermodynamics, Chemistry of Noble Gas Compounds and Interactions, 51 Physical Sciences

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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