Superconducting properties of A(3)Sb (A = Ti, Ta) Compound: an ab-initio approach

作者：Subhashree G^*; Sankar S; Krithiga R

来源：High Temperatures - High Pressures, 2014, 43(6): 469-477.

• A15 phase
• Electronic structure
• Density Functional Theory
• Density of states
• Debye temperature
• Electron-phonon coupling constant
• Superconducting transition temperature

Self-consistent first principle calculations on type II weakly coupled superconducting A(3)Sb (A = Ti, Ta) compounds of A15 phase are performed to understand their fundamental characteristics of the electronic, thermal and superconducting properties. The bulk modulus (B-0), Debye temperature (theta(D)), density of states (N (E-F)), electron-phonon coupling constant (lambda), superconducting transition temperature (T-c) and electronic specific heat coefficient (gamma) 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.

• 出版日期2014