High-T${}_c$ Superconductivity in doped boron-carbon clathrates

Abstract

We report a high-throughput ab-initio study of the thermodynamic and superconducting proper- ties of the recently synthesized XB${}_3$C${}_3$ clathrates. These compounds, in which boron and carbon form a sponge-like network of interconnected cages each enclosing a central X atom, are attractive candidates to achieve high-Tc conventional superconductivity at ambient pressure, due to the simultaneous presence of a stiff B-C covalent network and a tunable charge reservoir, provided by the guest atom. Ternary compounds like CaB${}_3$C${}_3$, SrB${}_3$C${}_3$ and BaB${}_3$C${}_3$ are predicted to exhibit T${}_c$ $<$ 50 K at moderate or ambient pressures, which may further increase up to 77 K if the original compounds are hole-doped by replacing the divalent alkaline earth with a monovalent alkali metal to form ordered $XY$B${}_6$C${}_6$ alloys.

5 figures, two tables

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