Oxygen Vacancies as Traps Responsible for La-Doped Hf0.5Zr0.5O2 Charge Transport Full article
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The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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| Output data | Year: 2023, Volume: 127, Number: 30, Pages: 14883-14890 Pages count : 8 DOI: 10.1021/acs.jpcc.3c01798 | ||||||||
| Tags | Charge transport, Defects in solids, Electronic structure, Energy, X-ray photoelectron spectroscopy | ||||||||
| Authors |
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| Affiliations |
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Funding (1)
| 1 | Russian Science Foundation | 22-22-00634 (122032400113-3) |
Abstract:
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.
Cite:
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 ANCAN OpenAlex
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 ANCAN OpenAlex
Dates:
| Submitted: | Mar 16, 2023 |
| Accepted: | Jul 6, 2023 |
| Published online: | Jul 20, 2023 |
| Published print: | Aug 3, 2023 |
Identifiers:
| Web of science: | WOS:001033156900001 |
| Scopus: | 2-s2.0-85166533823 |
| Elibrary: | 54369231 |
| Chemical Abstracts: | 2023:1496760 |
| Chemical Abstracts (print): | 183:282296 |
| OpenAlex: | W4384929247 |