High-$T_{\rm c}$ Ag$_x$BC and Cu$_x$BC superconductors accessible via topochemical reactions

Abstract

Hole-doping of covalent materials has long served as a blueprint for designing conventional high-$T_{\rm c}$ superconductors, but thermodynamic constraints severely limit the space of realizable compounds. Our ab initio results indicate that metastable Ag$_x$BC and Cu$_x$BC phases can be accessed via standard topochemical ion exchange reactions starting from Li$_x$BC precursors. Unlike all known stoichiometric layered metal borocarbides, the predicted AgBC and CuBC derivatives, comprising honeycomb layers bridged by dumbbells, are metallic rather than semiconducting. Anisotropic Migdal-Eliashberg analysis reveals that the intrinsically hole-doped AgBC possesses a unique combination of electronic and vibrational features to exhibit two-gap superconductivity above 50 K.