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arXiv · 1302.1960

Electronic structure, phonon spectra and electron-phonon interaction in HfB2

S. M. Sichkar·V. N. Antonov
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Abstract

The electronic structure, Fermi surface, angle dependence of the cyclotron masses and extremal cross sections of the Fermi surface, phonon spectra, electron-phonon Eliashberg and transport spectral functions, temperature dependence of electrical resistivity of the HfB2 diboride were investigated from first principles using the fully relativistic and full potential linear muffin-tin orbital methods. The calculations of the dynamic matrix were carried out within the framework of the linear response theory. A good agreement with experimental data of electron-phonon spectral functions, electrical resistivity, cyclotron masses and extremal cross sections of the Fermi surface was achieved.

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S. M. Sichkar, V. N. Antonov. 2013-02-08. Electronic structure, phonon spectra and electron-phonon interaction in HfB2. https://arxiv.org/abs/1302.1960

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