Influence of hydrogen on electron-phonon coupling and intrinsic electrical resistivity in zirconium: A first-principles study
| Parent link: | Physical Review B: Condensed Matter and Materials Physics Vol. 99, iss. 20.— 2019.— [205152, 10 p.] |
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| Sumari: | Title screen This paper presents the first-principles calculation of the electron-phonon coupling and the temperature dependence of the intrinsic electrical resistivity of the zirconium-hydrogen system with various hydrogen concentrations. The nature of the anomalous decrease in the electrical resistivity of the Zr-H system with the increase of hydrogen concentration (at high concentrations of H/Zr>1.5) is studied. It is found that the hydrogen concentration where the resistivity starts to decrease is very close to the critical concentration of the ??? phase transition. It is shown that the tetragonal lattice distortion due to the ??? phase transition of the Zr-H system eliminates imaginary phonon frequencies and the strong electron-phonon coupling of the ? phase and, as a result, leads to the reduction of the electrical resistivity of the Zr-H system at a high hydrogen concentration. Режим доступа: по договору с организацией-держателем ресурса |
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2019
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| Accés en línia: | https://doi.org/10.1103/PhysRevB.99.205152 |
| Format: | Electrònic Capítol de llibre |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=660973 |
| Sumari: | Title screen This paper presents the first-principles calculation of the electron-phonon coupling and the temperature dependence of the intrinsic electrical resistivity of the zirconium-hydrogen system with various hydrogen concentrations. The nature of the anomalous decrease in the electrical resistivity of the Zr-H system with the increase of hydrogen concentration (at high concentrations of H/Zr>1.5) is studied. It is found that the hydrogen concentration where the resistivity starts to decrease is very close to the critical concentration of the ??? phase transition. It is shown that the tetragonal lattice distortion due to the ??? phase transition of the Zr-H system eliminates imaginary phonon frequencies and the strong electron-phonon coupling of the ? phase and, as a result, leads to the reduction of the electrical resistivity of the Zr-H system at a high hydrogen concentration. Режим доступа: по договору с организацией-держателем ресурса |
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| DOI: | 10.1103/PhysRevB.99.205152 |