首页|Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films

Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films

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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 ℃)in an oxygen environment to reduce the Vo 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 Vo contribute to the ferroelectric polarization.Our findings reveal the importance of Vo for stabilizing rhombohedral ZrO2 thin films with superior ferroelectric properties.

charged defectsferroelectric polarizationrhombohedral phasestabilityzirconia

Veniero Lenzi、José P.B.Silva、Břetislav Šmíd、Vladimir Matoín、Cosmin M.Istrate、Corneliu Ghica、Judith L.MacManus-Driscoll、Luís Marques

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Physics Center of Minho and Porto Universities(CF-UM-UP),University of Minho,Campus de Gualtar 4710-057,Braga Portugal

Laboratory of Physics for Materials and Emergent Technologies,LapMET,University of Minho,4710-057,Braga Portugal

Department of Surface and Plasma Science,Faculty of Mathematics and Physics,Charles University,V Holešovičkách 2 18000,Prague 8 Czech Republic

National Institute of Materials Physics,105 bis Atomistilor 077125,Magurele Romania

Department of Materials Science and Metallurgy,27 Charles Babbage Rd.,Cambridge CB3 OFS,UK

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2024

10.1002/eem2.12500

能源与环境材料(英文)

能源与环境材料(英文)

ISSN：
年,卷(期)：2024.7(1)