Oxygen Vacancies as Traps Responsible for La-Doped Hf0.5Zr0.5O2 Charge Transport | Sciact - CRIS-система Института катализа

Oxygen Vacancies as Traps Responsible for La-Doped Hf0.5Zr0.5O2 Charge Transport Научная публикация

Журнал

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Вых. Данные

Год: 2023, Том: 127, Номер: 30, Страницы: 14883-14890 Страниц : 8 DOI: 10.1021/acs.jpcc.3c01798

Ключевые слова

Charge transport, Defects in solids, Electronic structure, Energy, X-ray photoelectron spectroscopy

Авторы

Perevalov Timofey V. ¹ , Gismatulin Andrei A. ¹ , Prosvirin Igor P. ² , Pustovarov Vladimir A. ³ , Gritsenko Vladimir A. ^1,4

Организации

1	Rzhanov Institute of Semiconductor Physics SB RAS, 13 Lavrentiev Avenue, 630090 Novosibirsk, Russia
2	Boreskov Institute of Catalysis of SB RAS, 5 Lavrentiev Avenue, 630090 Novosibirsk, Russia
3	Ural Federal University, 19 Mira Str., 620002 Yekaterinburg, Russia
4	Novosibirsk State Technical University, 20 K. Marx Avenue, 630073 Novosibirsk, Russia

Информация о финансировании (1)

Российский научный фонд

22-22-00634 (122032400113-3)

In the current study, a number of experimental methods combined with ab initio simulations and charge transport simulations were used to prove that oxygen vacancies are responsible for the charge transport in thin lanthanum-doped Hf0.5Zr0.5O2 (HfZrO:La) films and to establish the main charge transport mechanism. Films synthesized by an atomic layer deposition method with a doping impurity concentration of 3.5 mol % are studied. It was shown that the electronic structure and optical properties of oxygen vacancy in HfZrO:La are close to those of the oxygen vacancy in an undoped oxide. The method of oxygen vacancy generation by high-temperature annealing of an oxide in an inert medium was used, and a model of the atomic structure of HfZrO:La with oxygen vacancies was created. By analyzing the different charge transport mechanisms in dielectrics, it was shown that the charge transport in HfZrO:La is uniquely described by phonon-assisted electron tunneling between neutral neighboring traps that have a thermal trap ionization energy Wt = 1.3 eV. This value coincides with half of the blue photoluminescence Stokes shift value, which is due to oxygen vacancies, and besides, it is very close to the oxygen vacancy ionization energies found for undoped HfO2, ZrO2, and Hf0.5Zr0.5O2. Thus, the traps responsible for the charge transport in thin HfZrO:La films are oxygen vacancies.

Perevalov T.V. , Gismatulin A.A. , Prosvirin I.P. , Pustovarov V.A. , Gritsenko V.A.
Oxygen Vacancies as Traps Responsible for La-Doped Hf0.5Zr0.5O2 Charge Transport
The Journal of Physical Chemistry C. 2023. V.127. N30. P.14883-14890. DOI: 10.1021/acs.jpcc.3c01798 WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	16 мар. 2023 г.
Принята к публикации:	6 июл. 2023 г.
Опубликована online:	20 июл. 2023 г.
Опубликована в печати:	3 авг. 2023 г.

Web of science:	WOS:001033156900001
Scopus:	2-s2.0-85166533823
РИНЦ:	54369231
Chemical Abstracts:	2023:1496760
Chemical Abstracts (print):	183:282296
OpenAlex:	W4384929247

БД	Цитирований
Scopus	4
OpenAlex	2
Web of science	4
РИНЦ	2