Superconducting properties of A3Sb (A = Ti, Ta) Compound: an ab-initio approach
G. Subhashree, S. Sankar and R. Krithiga
Self-consistent first principle calculations on type II weakly coupled superconducting A3Sb (A = Ti, Ta) compounds of A15 phase are performed to understand their fundamental characteristics of the electronic, thermal and superconducting properties. The bulk modulus (B0), Debye temperature (θD), density of states (N (EF)), electron-phonon coupling constant (λ), superconducting transition temperature (Tc) and electronic specific heat coefficient (γ) have been computed in terms of the electronic structure results obtained by using the tight-binding linear muffin tin orbital method. From the present study, it is noted that the two materials have their electronic properties dominated by d-orbital around Fermi energy. Superconducting properties are calculated here are found to corroborate well with the experimental results of literature.
Keywords: A15 phase, electronic structure, Density Functional Theory, Density of states, Debye temperature, Electron-phonon coupling constant, superconducting transition temperature.