Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening

Abstract

Boron carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng et al., Phys. Rev. B 107, 014508 (2023)], we identified a new conventional superconductor of LiB3C at 100 GPa. Here, we aim to extend the investigation of possible superconductivity in this structural framework by replacing Li atoms with 27 different cations under pressures ranging from 0 to 100 GPa. Using the high-throughput screening method of zone-center electron-phonon interaction, we find that ternary compounds like CaB3C, SrB3C, TiB3C, and VB3C are promising candidates for superconductivity. The consecutive calculations using the full Brillouin zone confirm that they have Tc < 31 K at moderate pressures. Our study demonstrates that fast screening of superconductivity by calculating zone-center electron-phonon coupling strength is an effective strategy for high-throughput identification of new superconductors.

References in corpus (7)

• Superconductive "sodalite"-like clathrate calcium hydride at high pressures
• Superconductivity to 262 kelvin via catalyzed hydrogenation of yttrium at high pressures
• Three-dimensional MgB${}_2$-type superconductivity in hole-doped diamond
• Hydrogen "penta-graphene-like" structure stabilized by hafnium: a high-temperature conventional superconductor
• Conventional high-temperature superconductivity in metallic, covalently bonded, binary-guest C-B clathrates
• High-T${}_c$ Superconductivity in doped boron-carbon clathrates
• Electron-phonon coupling strength from ab initio frozen-phonon approach

Cited by in corpus (1)

• High-throughput screening for boride superconductors