English

Superconductivity in sodalite-like yttrium hydride clathrates

Superconductivity 2019-06-19 v1 Materials Science

Abstract

We report ab-initio calculations of the superconducting properties of two high-Tc sodalite-like clathrate yttrium hydrides, YH6 and YH10, within the fully anisotropic ME theory, including Coulomb corrections. For both compounds we find almost isotropic superconducting gaps, resulting from a uniform distribution of the electron-phonon coupling over phonon modes and electronic states of mixed Y and H character. The Coulomb screening is rather weak, resulting in a Morel-Anderson pseudopotential mu*= 0:11, at odds with claims of unusually large Tc in lanthanum hydrides. The corresponding critical temperatures at 300 GPa exceed room temperature (Tc = 290 K and 310 K for YH6 and YH10), in agreement with a previous isotropic-gap calculation. The different response of these two compounds to external pressure, along with a comparison to low-Tc superconducting YH3, may inspire strategies to improve the superconducting properties of this class of hydrides.

Keywords

Cite

@article{arxiv.1901.04001,
  title  = {Superconductivity in sodalite-like yttrium hydride clathrates},
  author = {Christoph Heil and Simone di Cataldo and Giovanni B. Bachelet and Lilia Boeri and ITP-CP and Graz University of Technology and Austria and Dipartimento di Fisica and Sapienza Universita' di Roma and Italy},
  journal= {arXiv preprint arXiv:1901.04001},
  year   = {2019}
}