Superconductivity of $LaH_{10}$ and $LaH_{16}$ polyhydrides
| Autor: | Kruglov, Ivan A., Semenok, Dmitrii V., Song, Hao, Szcz����niak, Rados��aw, Wrona, Izabela A., Akashi, Ryosuke, Esfahani, M. Mahdi Davari, Duan, Defang, Cui, Tian, Kvashnin, Alexander G., Oganov, Artem R. |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Popis: | We explore high-pressure phase stability and superconductivity of lanthanum hydrides $LaH_m$ (m=4-11,16). We predict stability of a hitherto unreported polyhydride $P6/mmm$-$LaH_{16}$ at pressures above 150 GPa; at 200 GPa its predicted superconducting $T_C$ is 156 K, critical field $\mu_0$$H_C$(0) ~ 35 T and superconducting gap is up to 35 meV. We revisit superconductivity of the recently discovered $LaH_{10}$ and find its $T_C$ 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 $\mu^*$ for $LaH_{10}$ and $LaH_{16}$. Presence of several polymorph modifications of LaH10 may explain the variety in the experimentally measured $T_C$ values for $LaH_{10}$ [1,2] Comment: 11 pages including 4 figures, 2 tables, Supporting Information (23 pages) |
| Databáze: | OpenAIRE |
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