High Pressure Superconducting Transition in Dihydride BiH2 with Bismuth Open-Channel Framework

Abstract

Metal hydrides MHx (x≤2) with low hydrogen content are not expected to show high-Tc superconductivity owing to the low hydrogen-derived electronic density of states at Fermi level and the limited hydrogen contribution to electron-phonon coupling strength. In this Letter, we report on the successful synthesis of a novel bismuth dihydride superconductor, Cmcm-BiH2, at approximately 150 GPa, and the discovery of superconductivity with Tc about 62 K at 163 GPa, marking the first instance of superconductor among the MH2-type metal dihydrides. Cmcm-BiH2 adopts a unique host-guest type structure, in which the Bi atoms via weak Bi-Bi covalent bonds form a three-dimensional open-channel framework that encapsulates H2-like molecules as guests, thereby broadening the structural diversity of hydrides under high pressures. The occurrence of superconductivity is evidenced by a sharp drop of resistivity to zero and the characteristic downward shift of Tc under applied magnetic fields. Notably, Cmcm-BiH2 remains stable down to at least 97 GPa during decompression, with the calculated lowest pressure for dynamic stability of 10 GPa. In-depth analysis reveals that the covalent bismuth open-channel structure forms metallic conduction channels, dominates the electronic states near the Fermi level, and contributes approximately 51% of the total λ in Cmcm-BiH2, distinguishing it from known high-pressure hydride superconductors. These findings highlight the critical role of nonhydrogen elements in producing superconductivity and open new avenues for the design and optimization of high-Tc hydride superconductors.

Source-reported materials — not catalogue approval

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