Influence of hydrogen on electron-phonon coupling and intrinsic electrical resistivity in zirconium: A first-principles study

Influence of hydrogen on electron-phonon coupling and intrinsic electrical resistivity in zirconium: A first-principles study

Detalhes bibliográficos
Parent link:Physical Review B: Condensed Matter and Materials Physics
Vol. 99, iss. 20.— 2019.— [205152, 10 p.]
Autor principal: Tang Qicheng
Autor Corporativo: Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Outros Autores: Svyatkin L. A. Leonid Aleksandrovich, Chernov I. P. Ivan Petrovich
Resumo: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
Publicado em: 2019
Assuntos:
электронный ресурс
труды учёных ТПУ
водород
электрон-фононное взаимодействие
электросопротивление
цирконий
Acesso em linha:https://doi.org/10.1103/PhysRevB.99.205152
Formato: Recurso Eletrônico Capítulo de Livro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=660973

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