Superconductivity in CaBi${}_2$

Abstract

Superconductivity is observed with critical temperature $T_c$ = 2.0 K in self-flux-grown single crystals of $CaB{i}_2$. This material adopts the $ZrS{i}_2$ structure type with lattice parameters a = 4.696(1) $\mathring{A}$, b = 7.081(2) $\mathring{A}$ and c = 4.611(1) $\mathring{A}$. The crystals of $CaB{i}_2$ were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at $T_c$ is $\Delta C/\gamma T_c$ = 1.41, confirming bulk superconductivity; the Sommerfeld coefficient $\gamma$ = 4.1 $mJmo{l}^{-1}{K}^{-2}$ and the Debye temperature ${\Theta }_D$ = 157 K. The electron-phonon coupling strength is ${\lambda }_{el-ph}$ = 0.59, and the thermodynamic critical field $H_c$ is low, between 111 and 124 Oe $CaB{i}_2$ is a moderate coupling type-I superconductor. Results of electronic structure calculations are reported and charge densities, electronic bands, densities of states and Fermi surfaces are discussed, focusing on the effects of spin\textendash orbit coupling and electronic property anisotropy. We find a mixed quasi-2D + 3D character in the electronic structure, which reflects the layered crystal structure of the material.

9 pages, 11 figures + Supplementary Material (4 pages, 3 figures); accepted for publication in Physical Chemistry Chemical Physics

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