Abstract
The unconventional superconductivity in the noncentrosymmetric , and its evolution with pressure, is analyzed basing on the ab initio computations and the full Eliashberg formalism. First-principles calculations of the electronic structure, phonons, and the electron-phonon coupling are reported in the pressure range 0–15 GPa. The thermodynamic properties of the superconducting state were determined numerically solving the Eliashberg equations. We found that already at GPa, the superconducting parameters deviate from the BCS-type, and a large value of the Coulomb pseudopotential is required to get the critical temperature K consistent with experiment. If such is used, the Eliashberg formalism reproduces also the experimentally observed values of the superconducting order parameter, the electronic specific heat jump at the critical temperature, and the change of the London penetration depth with temperature. This shows, that deviation of the above-mentioned parameters from the BCS predictions do not prejudge on the triplet or multiple gap nature of the superconductivity in this compound. Under the external pressure, calculations predict continuous increase of the electron-phonon coupling constant in the whole pressure range 0–15 GPa, consistent with the experimentally observed increase in for the pressure range 0–4 GPa, but inconsistent with the drop of above 4 GPa and the disappearance of the superconductivity above 7 GPa, reported experimentally. The disappearance of superconductivity may be accounted for by increasing the to 0.36 at 7 GPa, which supports the hypothesis of the formation of a new high-pressure electronic phase, which competes with the superconductivity.
6 More- Received 3 July 2016
- Revised 11 October 2016
DOI:https://doi.org/10.1103/PhysRevB.94.134517
©2016 American Physical Society