High-Tc 2D ambient BCS superconductors in hydrogenated transition-metal borides
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Abstract
Abstract The discovery of MgB2, with T c of 39 K, has inspired intensive studies on various metal (di)-borides to identify other potential conventional high-temperature superconductors. A possible two-dimensional structure of metal borides with the composition M2B2 has also been proposed. Using density functional theory (DFT), we investigated the phase stability and potential high-temperature superconducting properties from mono-hydrogenated transition metal borides (M2B2H; M = Sc, Y, V, Nb) to fully hydrogenated transition metal borides (M2B2H4). The mono-hydrogenated transition metal borides behave like a perturbation of M2B2, with only minor changes in the electronic structure and phonons, and barely becomes superconducting. In contrast, M2B2H4 emerges as a highly promising 2D material, exhibiting a calculated T c of up to 69 K and 83 K for Nb2B2H4 and V2B2H4, respectively, at ambient pressure.
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Research context
OpenAlex topics: Superconductivity in MgB2 and Alloys · Boron and Carbon Nanomaterials Research · MXene and MAX Phase Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (74)
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