LaBH${}_8$: the first high-T${}_c$ low-pressure superhydride

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 work, we report the computational prediction of a hydride superconductor, LaBH${}_8$, with a T${}_c$ 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-T${}_c$ hydrides. LaBH${}_8$ can be seen as a ternary sodalite-like hydride, in which a metallic hydrogen sublattice is stabilized by the chemical pressure exerted by the guest elements. The combination of two elements with different atomic sizes in LaBH${}_8$ realizes a more efficient packing of atoms than in binary sodalite hydrides. A suitable choice of elements may be exploited to further reduce the stabilization pressure to ambient conditions.

6 pages, 4 figures, 1 table

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