An ab initio approach on superconducting properties of Mo3X (X= Si, Ga, Ge) compounds

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

来源：Modern Physics Letters B, 2015, 29(18): 1550094.

DOI：10.1142/S0217984915500943

• A15 phase
• type II superconductors
• band structure
• superconducting transition temperature
• Debye temperature
• electron-phonon coupling constant
• ab initio calculation

Self-consistent first principles calculations on type II weakly coupled superconducting Mo3X (X = Si, Ga, Ge) compounds of A15 phase are performed to understand their fundamental characteristics of the electronic, thermal and superconducting properties. The bulk modulus (B), Debye temperature (theta(D)), density of states (DOS) (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. It is observed that all the three materials have their electronic properties dominated by d-orbital at Fermi energy. Thermal and superconducting properties calculated here are found to corroborate well with the experimental results of literature.

• 出版日期2015-7-10