Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10491986" target="_blank" >RIV/00216208:11320/24:10491986 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I0Yq3kh5dW" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I0Yq3kh5dW</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/eem2.12500" target="_blank" >10.1002/eem2.12500</a>
Alternative languages
Result language
angličtina
Original language name
Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films
Original language description
Rhombohedral phase HfxZr1-xO2 (HZO, x from 0 to 1) films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling, as is normally the case for the more commonly studied orthorhombic phase. However, a large spontaneous polarization observed in rhombohedral films is not fully understood, and there are also large discrepancies between experimental and theoretical predictions. In this work, in rhombohedral ZrO2 thin films, we show that oxygen vacancies are not only a key factor for stabilizing the phase, but they are also a source of ferroelectric polarization in the films. This is shown experimentally through the investigation of the structural properties, chemical composition and the ferroelectric properties of the films before and after an annealing at moderate temperature (400 degrees C) in an oxygen environment to reduce the V-O concentration compared. The experimental work is supported by density functional theory (DFT) calculations which show that the rhombohedral phase is the most stable one in highly oxygen defective ZrO2 films. The DFT calculations also show that V-O contribute to the ferroelectric polarization. Our findings reveal the importance of V-O for stabilizing rhombohedral ZrO2 thin films with superior ferroelectric properties.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
<a href="/en/project/LM2023072" target="_blank" >LM2023072: Surface Physics Laboratory – Hydrogen Technology Centre</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ENERGY & ENVIRONMENTAL MATERIALS
ISSN
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e-ISSN
2575-0356
Volume of the periodical
7
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
e12500
UT code for WoS article
000943828000001
EID of the result in the Scopus database
2-s2.0-85161095125