Abstract

Superconductivity is observed with critical temperature TcT_{c} = 2.0 K in self-flux-grown single crystals of CaBi2CaBi_{2}. This material adopts the ZrSi2ZrSi_{2} structure type with lattice parameters a = 4.696(1) A˚Å, b = 7.081(2) A˚Å and c = 4.611(1) A˚Å. The crystals of CaBi2CaBi_{2} were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at TcT_{c} is ΔC/γTcΔC/γT_{c} = 1.41, confirming bulk superconductivity; the Sommerfeld coefficient γγ = 4.1 mJ mol−1 K−2mJ\: mol^{-1}\, K^{-2} and the Debye temperature ΘDΘ_{D} = 157 K. The electron-phonon coupling strength is λel−phλ_{el-ph} = 0.59, and the thermodynamic critical field HcH_{c} is low, between 111 and 124 Oe CaBi2CaBi_{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.

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