Structure and bonding of superconducting LaC2

Abstract

We have synthesized polycrystalline samples of superconducting LaC2 and investigated them by x-ray and neutron powder diffraction, magnetic susceptibility and heat capacity measurements. Depending on the preparation conditions we find superconductivity below ∼1.8 K. A comparison of the superconducting anomaly in the heat capacity with theoretical predictions indicates LaC2 to be a weak-coupling BCS-type superconductor. Evidence for a structural phase transition has not been found from the neutron powder diffraction experiments carried out down to 4 K. A negative thermal expansion of the c lattice parameter was observed below ∼50 K. The electronic structure of LaC2 has been calculated ab initio and it is compared with that of YC2. The carbon–carbon distance of LaC2 has been determined from the neutron powder diffraction experiments and it is compared and discussed with respect to those observed in other superconducting binary and ternary La and Y carbides and carbide halides.