Standard

Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция. / Жуков, В.П.; Чулков, Евгений Владимирович.

In: ФИЗИКА ТВЕРДОГО ТЕЛА, Vol. 64, No. 4, 2022, p. 418-427.

Research output: Contribution to journal › Article › peer-review

Harvard

Жуков, ВП & Чулков, ЕВ 2022, 'Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция', ФИЗИКА ТВЕРДОГО ТЕЛА, vol. 64, no. 4, pp. 418-427. https://doi.org/10.21883/PSS.2022.04.53496.249

APA

Жуков, В. П., & Чулков, Е. В. (2022). Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция. ФИЗИКА ТВЕРДОГО ТЕЛА, 64(4), 418-427. https://doi.org/10.21883/PSS.2022.04.53496.249

Vancouver

Жуков ВП, Чулков ЕВ. Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция. ФИЗИКА ТВЕРДОГО ТЕЛА. 2022;64(4):418-427. https://doi.org/10.21883/PSS.2022.04.53496.249

Author

Жуков, В.П. ; Чулков, Евгений Владимирович. / Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция. In: ФИЗИКА ТВЕРДОГО ТЕЛА. 2022 ; Vol. 64, No. 4. pp. 418-427.

BibTeX

@article{2640dccdc3554739b9ca447d6e31dad4,
title = "Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция",
abstract = "The calculations of the electron-phonon relaxation time, Seebeck coefficient and conductivity were performed for cadmium oxide with oxygen vacancies and strontium titanate doped with niobium using the first-principle methods based on the electron density functional perturbation theory, Boltzmann theory and many-body theory of electron-phonon interaction. It is shown that the calculations of relaxation time based on the many-body theory lead to significantly more accurate results on transport characteristics than in the case of the standard approximation of a constant relaxation time. It is shown that interaction with defects has a significant effect on conductivity. Keywords: cadmium oxide, strontium titanate, electronic structure, PAW method, Boltzmann theory, transport characteristics.",
author = "В.П. Жуков and Чулков, {Евгений Владимирович}",
year = "2022",
doi = "10.21883/PSS.2022.04.53496.249",
language = "русский",
volume = "64",
pages = "418--427",
journal = "ФИЗИКА ТВЕРДОГО ТЕЛА",
issn = "0367-3294",
publisher = "Издательство {"}Наука{"}",
number = "4",

}

RIS

TY - JOUR

T1 - Возможности моделирования из первых принципов электрон-фононной релаксации и транспортных свойств на примерах оксида кадмия и титаната стронция

AU - Жуков, В.П.

AU - Чулков, Евгений Владимирович

PY - 2022

Y1 - 2022

N2 - The calculations of the electron-phonon relaxation time, Seebeck coefficient and conductivity were performed for cadmium oxide with oxygen vacancies and strontium titanate doped with niobium using the first-principle methods based on the electron density functional perturbation theory, Boltzmann theory and many-body theory of electron-phonon interaction. It is shown that the calculations of relaxation time based on the many-body theory lead to significantly more accurate results on transport characteristics than in the case of the standard approximation of a constant relaxation time. It is shown that interaction with defects has a significant effect on conductivity. Keywords: cadmium oxide, strontium titanate, electronic structure, PAW method, Boltzmann theory, transport characteristics.

AB - The calculations of the electron-phonon relaxation time, Seebeck coefficient and conductivity were performed for cadmium oxide with oxygen vacancies and strontium titanate doped with niobium using the first-principle methods based on the electron density functional perturbation theory, Boltzmann theory and many-body theory of electron-phonon interaction. It is shown that the calculations of relaxation time based on the many-body theory lead to significantly more accurate results on transport characteristics than in the case of the standard approximation of a constant relaxation time. It is shown that interaction with defects has a significant effect on conductivity. Keywords: cadmium oxide, strontium titanate, electronic structure, PAW method, Boltzmann theory, transport characteristics.

UR - https://www.mendeley.com/catalogue/dabd3a0a-dc9b-3d15-951f-61c5ce871474/

U2 - 10.21883/PSS.2022.04.53496.249

DO - 10.21883/PSS.2022.04.53496.249

M3 - статья

VL - 64

SP - 418

EP - 427

JO - ФИЗИКА ТВЕРДОГО ТЕЛА

JF - ФИЗИКА ТВЕРДОГО ТЕЛА

SN - 0367-3294

IS - 4

ER -

ID: 100349671