We explore high-pressure phase stability and superconductivity of lanthanum hydrides LaHm (m=4-11,16). We predict stability of a hitherto unreported polyhydride P6/mmm-LaH16 at pressures above 150 GPa; at 200 GPa its predicted superconducting TC is 156 K, critical field μ0HC(0) ~ 35 T and superconducting gap is up to 35 meV. We revisit superconductivity of the recently discovered LaH10 and find its TC to be up to 259 K (170 GPa) from solving the Eliashberg equation and 271 K from solving the gap equation in SCDFT which also allowed us to compute the Coulomb pseudopotential μ∗ for LaH10 and LaH16. Presence of several polymorph modifications of LaH10 may explain the variety in the experimentally measured TC values for LaH10 [1,2]
@article{arxiv.1810.01113,
title = {Superconductivity of $LaH_{10}$ and $LaH_{16}$ polyhydrides},
author = {Ivan A. Kruglov and Dmitrii V. Semenok and Hao Song and Radosław Szczęśniak and Izabela A. Wrona and Ryosuke Akashi and M. Mahdi Davari Esfahani and Defang Duan and Tian Cui and Alexander G. Kvashnin and Artem R. Oganov},
journal= {arXiv preprint arXiv:1810.01113},
year = {2020}
}
Comments
11 pages including 4 figures, 2 tables, Supporting Information (23 pages)