High-Tc state of Lanthanum hydrides

TL;DR

This paper analyzes the high-temperature superconducting phase of lanthanum hydrides, focusing on the critical temperature, isotope effects, and pressure dependence using first-principles calculations and two coupling constants.

Contribution

It introduces a combined theoretical approach with two coupling constants and characteristic frequencies to explain the critical temperature and isotope effects in LaH10.

Findings

Critical temperature of 254 K at high pressure

Isotope coefficient of 0.45 consistent with experiments

Decrease in critical temperature linked to Fermi surface features

Abstract

The high critical temperature phase of lanthanum hydrides deserves special attention because this phase displays the highest observed critical temperature. We focus on the evaluation of the critical temperature, isotope coefficient, and their pressure dependence of this phase (Fm3m phase of the LaH10 compound). By combining the method of two coupling constants, describing the interaction with the optical and acoustic modes, and two characteristic frequencies with first-principle calculations we are able to analyze the role of the light hydrogen in the amplitude of the critical temperature in this unique compound. Specifically, the critical temperature of 254 K and the isotope coefficient of 0.45 are evaluated at high pressure, and the results are in good agreement with the experimental data. The peculiar decrease in the value of the critical temperature upon further increase in pressure is explained by the presence of a flat region on the Fermi surface and the appearance of a two-gap structure, which should be experimentally observable by tunneling spectroscopy.