High-temperature multigap superconductivity in two-dimensional metal-borides

TL;DR

This study predicts high-temperature multigap superconductivity in 2D metal-boride crystals called MBenes, using first-principles calculations, highlighting their potential for advanced superconducting devices.

Contribution

It introduces a systematic computational approach to identify and analyze superconductivity in 2D metal-boride compounds, revealing their high critical temperatures and multigap behavior.

Findings

Critical temperatures up to 72 K predicted.

Identification of multigap superconductivity in 2D MBenes.

Potential applications in 2D heterostructures and superconducting devices.

Abstract

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 (MAB phases). First, we identified the MBene layers with potential for superconductivity via isotropic Eliashberg calculations, considering a wide range of metal elements, with 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.