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Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO_(2) Thin Films

Energy & Environmental materials 2024年第1期7卷 229-237页

作者： Veniero lenzi José P.B.Silva Břetislav Šmíd Vladimir matoín Cosmin m.Istrate corneliu ghica.judith l.m.cma.us-driscoll luís marques Physics Center of minho and Porto Universities(CF-Um-UP) University of MinhoCampus de Gualtar 4710-057Braga Portugal laboratory of Physics for materials and Emergent Technologies LapMETUniversity of Minho4710-057Braga Portugal Department of Surface and Plasma Science Faculty of Mathematics and PhysicsCharles UniversityV Holešovičkách 218000Prague 8 Czech Republic National Institute of materials Physics 105 bis Atomistilor 077125Magurele Romania Department of materials Science and metallurgy 27 Charles Babbage Rd.Cambridge CB3 OFSUK

Rhombohedral phase Hf_(x)Zr_(1.x)O_(2)(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 ***,a large spontaneous polarization observed in rhombohedral films is not fully understood,and there are also large discrepancies between experimental and theoretical *** this work,in rhombohedral ZrO_(2)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 *** 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 V_(o)concentration *** 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 ZrO_(2)*** DFT calculations also show that V_(o)contribute to the ferroelectric *** findings reveal the importance of V_(o)for stabilizing rhombohedral ZrO_(2)thin films with superior ferroelectric properties.

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia

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