Actinium hydrides $AcH_{10}$, $AcH_{12}$, $AcH_{16}$ as hightemperature conventional superconductors
Abstract
Stability of numerous unexpected actinium hydrides was predicted via evolutionary algorithm USPEX. Electronphonon interaction was investigated for the hydrogenrichest and most symmetric phases: R$\overline{3}$m$AcH_{10}$, I4/mmm$AcH_{12}$ and P$\overline{6}$m2$AcH_{16}$. Predicted structures of actinium hydrides are consistent with all previously studied AcH phases and demonstrate phononmediated hightemperature superconductivity with Tc in the range 204251 K for R$\overline{3}$m$AcH_{10}$ at 200 GPa and 199241 K for P$\overline{6}$m2$AcH_{16}$ at 150 GPa which was estimated by directly solving of Eliashberg equation. Actinium belongs to the series of d1elements (ScYLaAc) that form highTc superconducting (HTSC) hydrides. Combining this observation with p0HTSC hydrides ($MgH_{6}$ and $CaH_{6}$), we propose that p0 and d1atoms with lowlying empty orbitals tend to form phononmediated HTSC metal polyhydrides.
 Publication:

arXiv eprints
 Pub Date:
 February 2018
 arXiv:
 arXiv:1802.05676
 Bibcode:
 2018arXiv180205676S
 Keywords:

 Condensed Matter  Superconductivity
 EPrint:
 doi:10.1021/acs.jpclett.8b00615