Crystal structure and superconducting properties of two-dimensional metal borocarbides
Phys. Rev. B 114, 264503 – Published 3 November, 2026
DOI: https://doi.org/10.1103/yxtg-dcfj
Abstract
Two-dimensional (2D) metal borocarbide superconductors represent an emerging category of low-dimensional materials consisting of boron, carbon, and metal atoms, which hold substantial promise for applications in next-generation low-power superconducting electronics and quantum devices. Here, we design a family of 2D metal borocarbide superconductors with the chemical formula using a high-throughput structural search combined with first-principles calculations. These compounds crystallize in a graphene-like metal-intercalated structure, belonging to the layer group with symmetry, where metal atoms are intercalated between the honeycomb boron–carbon (B–C) layers. These compounds have an extremely low metal content, with 83% less metal than on a per-light-atom basis. The calculated results indicate that superconducting transition temperatures () of 2D , and are 43.61 K, 42.20 K, and 39.97 K, respectively, all of which exceed the values of the conventional superconductor (39 K). The high- values of these 2D metal borocarbide superconductors are mainly attributed to the strong coupling between the metallized orbitals and the in-plane phonon vibrations of the B–C frameworks. These findings confirm that moderate metal doping in 2D light-element frameworks constitutes an effective strategy for achieving high-temperature superconductivity, thereby offering insights for the exploration of further superconductors.