High-temperature multigap superconductivity in two-dimensional metal borides

C Sevik, J Bekaert, M Petrov, MV Milošević - Physical Review Materials, 2022 - APS
Physical Review Materials, 2022APS
Using first-principles calculations in combination with the Eliashberg formalism, we
systematically investigated phonon-mediated superconductivity in two-dimensional (2D)
metal-boride crystals, consisting of a boron honeycomb network doped by diverse metal
elements. Such 2D metal-boride compounds, named MBenes, are chemically exfoliable
from single-crystalline layered ternary borides. First we identified the MBene layers with
potential for superconductivity via isotropic Eliashberg calculations, considering a wide …
Using first-principles calculations in combination with the Eliashberg formalism, we systematically investigated phonon-mediated superconductivity in two-dimensional (2D) metal-boride crystals, consisting of a boron honeycomb network doped by diverse metal elements. Such 2D metal-boride compounds, named MBenes, are chemically exfoliable from single-crystalline layered ternary borides. First we identified the MBene layers with potential for superconductivity via isotropic Eliashberg calculations, considering a wide range of metal elements, with a focus on alkaline earth and transition metals. Subsequently, we performed a detailed analysis of the prominent superconducting MBenes by solving the anisotropic Eliashberg equations. The obtained high critical temperatures (up to 72 K), as well as the rich multigap superconducting behavior, recommend these crystals for further use in multifunctional 2D heterostructures and superconducting device applications.
American Physical Society
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