Recently, C. M. Pépin et al. [Science 357, 382 (2017)] reported the formation of several new iron polyhydrides FeHx at pressures in the megabar range and spotted FeH5, which forms above 130 GPa, as a potential high-Tc superconductor because of an alleged layer of dense metallic hydrogen. Shortly after, two studies by A. Majumdar et al. [Phys. Rev. B 96, 201107 (2017)] and A. G. Kvashnin et al. [J. Phys. Chem. C 122, 4731 (2018)] based on ab initio Migdal-Eliashberg theory seemed to independently confirm such a conjecture. We conversely find, on the same theoretical-numerical basis, that neither FeH5 nor its precursor, FeH3, shows any conventional superconductivity and explain why this is the case. We also show that superconductivity may be attained by transition-metal polyhydrides in the FeH3 structure type by adding more electrons to partially fill one of the Fe-H hybrid bands (as, e.g., in NiH3). Critical temperatures, however, will remain low because the d-metal bonding, and not the metallic hydrogen, dominates the behavior of electrons and phonons involved in the superconducting pairing in these compounds.

Absence of superconductivity in iron polyhydrides at high pressures / Heil, Christoph; Bachelet, Giovanni B.; Boeri, Lilia. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - ELETTRONICO. - 97:21(2018). [10.1103/PhysRevB.97.214510]

Absence of superconductivity in iron polyhydrides at high pressures

Bachelet, Giovanni B.
Membro del Collaboration Group
;
Boeri, Lilia
Membro del Collaboration Group
2018

Abstract

Recently, C. M. Pépin et al. [Science 357, 382 (2017)] reported the formation of several new iron polyhydrides FeHx at pressures in the megabar range and spotted FeH5, which forms above 130 GPa, as a potential high-Tc superconductor because of an alleged layer of dense metallic hydrogen. Shortly after, two studies by A. Majumdar et al. [Phys. Rev. B 96, 201107 (2017)] and A. G. Kvashnin et al. [J. Phys. Chem. C 122, 4731 (2018)] based on ab initio Migdal-Eliashberg theory seemed to independently confirm such a conjecture. We conversely find, on the same theoretical-numerical basis, that neither FeH5 nor its precursor, FeH3, shows any conventional superconductivity and explain why this is the case. We also show that superconductivity may be attained by transition-metal polyhydrides in the FeH3 structure type by adding more electrons to partially fill one of the Fe-H hybrid bands (as, e.g., in NiH3). Critical temperatures, however, will remain low because the d-metal bonding, and not the metallic hydrogen, dominates the behavior of electrons and phonons involved in the superconducting pairing in these compounds.
2018
Superconductivity; electronic structure; high pressure
01 Pubblicazione su rivista::01a Articolo in rivista
Absence of superconductivity in iron polyhydrides at high pressures / Heil, Christoph; Bachelet, Giovanni B.; Boeri, Lilia. - In: PHYSICAL REVIEW. B. - ISSN 2469-9950. - ELETTRONICO. - 97:21(2018). [10.1103/PhysRevB.97.214510]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1118458
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