Issues »  Volume 36, Issue 3

Interaction between Electron and Phonon Subsystems in Hafnium Diboride

S. M. Sichkar

G.V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Blvd., UA-03680 Kyiv-142, Ukraine

Received: 18.11.2013. Download: PDF

Ab initio calculation of the electron—phonon coupling functions is carried out, using full potential LMTO method. Low value of the averaged electron— phonon interaction constant for HfB$_{2}$ $\lambda = 0.17$ indicates that there is no evidence of superconductivity in this compound. Electrical resistivity and anisotropy factor $\rho_{z}/ \rho_{x} = 1.079$ ($T = 300$ K) are theoretically calculated. A good agreement with experimental data of electrical resistivity is achieved. Comparative analysis of ABINIT, SIESTA, VASP, and present LMTO method for phonon spectra calculating is performed.

Key words: lattice dynamics, electron—phonon interaction, phonon spectrum, thermodynamic properties, electrical resistivity, diborides.

URL: http://mfint.imp.kiev.ua/en/abstract/v36/i03/0419.html

DOI: https://doi.org/10.15407/mfint.36.03.0419

PACS: 63.20.dk, 71.15.-m, 71.15.Mb, 71.38.-k, 72.10.Di, 72.15.Eb

Citation: S. M. Sichkar, Interaction between Electron and Phonon Subsystems in Hafnium Diboride, Metallofiz. Noveishie Tekhnol., 36, No. 3: 419—429 (2014)

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