High-Temperature Superconductivity in a Th–H System under Pressure Conditions

Published on 2018-12-07T13:20:48Z (GMT) by
New stable phase thorium decahydride <i>Fm</i>3̅<i>m</i>-ThH<sub>10</sub>, a high-temperature superconductor with <i>T</i><sub>C</sub> up to 241 K (−32 °C), critical field <i>H</i><sub>C</sub> up to 71 T, and superconducting gap Δ<sub>0</sub> of 52 meV at 80–100 GPa, is predicted by evolutionary algorithm USPEX. Another phase, <i>P</i>2<sub>1</sub>/<i>c</i>-ThH<sub>7</sub>, is found to be a superconductor with <i>T</i><sub>C</sub> of 62 K. Analysis of the superconducting state was performed within Eliashberg formalism, and <i>H</i><sub>C</sub>(<i>T</i>), Δ­(<i>T</i>), and <i>T</i><sub>C</sub>(<i>P</i>) functions with a jump in the specific heat at critical temperature were calculated. Several other new thorium hydrides were predicted to be stable under pressure, including ThH<sub>3</sub>, Th<sub>3</sub>H<sub>10</sub>, ThH<sub>4</sub>, and ThH<sub>6</sub>. Thorium (which has <i>s</i><sup>2</sup><i>d</i><sup>2</sup> electronic configuration) forms high-<i>T</i><sub>C</sub> polyhydrides similar to those formed by <i>s</i><sup>2</sup><i>d</i><sup>1</sup> metals (Y–La–Ac). Thorium belongs to the Mg–Ca–Sc–Y–La–Ac family of elements forming high-<i>T</i><sub>C</sub> superconducting hydrides.

Cite this collection

Kvashnin, Alexander G.; Semenok, Dmitrii V.; Kruglov, Ivan A.; Wrona, Izabela A.; Oganov, Artem R. (2018): High-Temperature

Superconductivity in a Th–H System under Pressure Conditions. ACS Publications. Collection.