Влияние концентрации водорода на удельное электрическое сопротивление циркония: расчеты из первых принципов; Перспективы развития фундаментальных наук; Т. 1 : Физика
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XV Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 24-27 апреля 2018 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2018 Т. 1 : Физика.— 2018.— [С. 295-297] |
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| Shrnutí: | Заглавие с экрана We present a first-principles study of the electron-phonon coupling and temperature dependence of intrinsic electrical resistivity in zirconium-hydrogen system with various concentration of hydrogen. By means of density functional theory and density functional perturbation theory, the Eliashberg function, Eliashberg transport function and their strength electron-phonon coupling constant λ and transport constant λtr were calculated. By solving Boltzmann equation in the lowest-order variational approximation, we got the temperature dependence of intrinsic electrical resistivity. We show that the tetragonal lattice distortion of FCC lattice leads to the formation of zirconium hydride with a weaker electron-phonon interaction, which, in turn, leads to the decrease in the electrical resistivity.operation. |
| Jazyk: | ruština |
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2018
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| On-line přístup: | http://earchive.tpu.ru/handle/11683/50666 |
| Médium: | Elektronický zdroj Kapitola |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=627453 |
| Shrnutí: | Заглавие с экрана We present a first-principles study of the electron-phonon coupling and temperature dependence of intrinsic electrical resistivity in zirconium-hydrogen system with various concentration of hydrogen. By means of density functional theory and density functional perturbation theory, the Eliashberg function, Eliashberg transport function and their strength electron-phonon coupling constant λ and transport constant λtr were calculated. By solving Boltzmann equation in the lowest-order variational approximation, we got the temperature dependence of intrinsic electrical resistivity. We show that the tetragonal lattice distortion of FCC lattice leads to the formation of zirconium hydride with a weaker electron-phonon interaction, which, in turn, leads to the decrease in the electrical resistivity.operation. |
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