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Superconducting properties of hypothetical simple hexagonal CaB2 are studiedusing the fully anisotropic Eliashberg formalism based on electronic andphononic structures and electron-phonon interactions which are obtained from abinitio pseudopotential density functional calculations. The superconductingtransition temperature Tc, the superconducting energy gap Delta(k) on the Fermisurface, and the specific heat are obtained and compared with correspondingproperties of MgB2. Our results suggest that CaB2 will have a higher Tc and astronger two-gap nature, with a larger Delta(k) in the sigma bands but asmaller Delta(k) in the pi bands than MgB2.

Prediction of superconducting properties of CaB2 using anisotropic Eliashberg theory