Abstract
The phonon spectra, electron-phonon Eliashberg function, and T c of the hafnium diboride were investigated from the first principles using the full potential linear muffin-tin orbital method. The calculations of the dynamic matrix were carried out within the framework of the linear response theory. Comparative analysis of different values T c , based upon a b i n i t i o calculation of the electronic band structures as well as the phonon dispersion curves, was performed for row: HfB2, ScB2, and MgB2. Different theoretical approaches to the calculation of the phonon spectra were discussed.
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