La BH8 : Towards high-Tc low-pressure superconductivity in ternary superhydrides
Abstract
In the last five years a large number of new high-temperature superconductors have been predicted and experimentally discovered among hydrogen-rich crystals, at pressures, which are way too high to meet any practical application. In this paper, we report the computational prediction of a hydride superconductor, La BH8 , with a Tc of 126 K at a pressure of 50 GPa, thermodynamically stable above 100 GPa, and dynamically stable down to 40 GPa, an unprecedentedly low pressure for high-Tc hydrides. La BH8 can be seen as a ternary sodalite-like hydride, in which a metallic hydrogen sublattice is stabilized by the chemical pressure exerted by the La-B scaffolding, which achieves a more efficient packing of atoms than in binary sodalite hydrides thanks to the combination of elements with very different sizes. The proposed aufbau principle may be exploited to design high-Tc hydrides that survive at even lower pressure, through a careful choice of the elements.
- Publication:
-
Physical Review B
- Pub Date:
- July 2021
- DOI:
- arXiv:
- arXiv:2102.11227
- Bibcode:
- 2021PhRvB.104b0511D
- Keywords:
-
- Condensed Matter - Superconductivity
- E-Print:
- 6 pages, 4 figures, 1 table