Ab-initio studies of thermal and superconducting properties of HfX2 alloys (X = Tc,Re, and Os)

A systematic study of thermal properties such as the Debye temperature, specific heat coefficient, Grüneisen constant, electron-phonon coupling constant and transition temperature have been carried out using the results of electronic band structure and related characteristics, for hafnium superconducting alloys, namely, HfTc₂, HfRe₂ and HfOs₂. Computation of the electronic band structure and associated properties has been carried out using the tight-binding-linear-muffin-tin-orbital (TBLMTO) method within atomic sphere approximation (ASA). The calculated values have been compared with the available results of literature data.