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Phase transitions in ferroelectric ZrO<inf>2</inf> thin films

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Bibliographic Details
Summary:In this work, the formation of the orthorhombic phase of ZrO2 together with the minor monoclinic phase were elucidated by X-ray diffraction and transmission electron microscopy. Moreover, oxidized W can be responsible for the formation of oxygen vacancies in the ZrO2 through oxygen scavenging. The ferroelectric properties of the W/ZrO2/W film capacitors were investigated through piezoresponse force microscopy (PFM) and polarization-voltage measurements. A second-order phase transition from the polar orthorhombic phase to the non-polar tetragonal phase was observed. Density functional theory calculations confirm our experimental results and propose that oxygen vacancies are responsible for the Curie–Weiss temperature of 130 °C, significantly lower than the theoretical value for the bulk.
Main Authors:Pereira, Rui M. P.
Other Authors:Istrate, Marian C.; Figueiras, Fábio G.; Lenzi, Veniero; Silva, Bruna M.; Benamara, Majdi; Romanyuk, Konstantin N.; Ghica, Corneliu; Almeida, B. G.; Marques, L.; Pereira, Mário; Silva, José Pedro Basto
Subject:Ferroelectricity Orthorhombic ZrO 2 Oxygen vacancies Phase transitions
Year:2024
Country:Portugal
Document type:article
Access type:restricted access
Associated institution:Universidade do Minho
Language:English
Origin:RepositóriUM - Universidade do Minho
Description
Summary:In this work, the formation of the orthorhombic phase of ZrO2 together with the minor monoclinic phase were elucidated by X-ray diffraction and transmission electron microscopy. Moreover, oxidized W can be responsible for the formation of oxygen vacancies in the ZrO2 through oxygen scavenging. The ferroelectric properties of the W/ZrO2/W film capacitors were investigated through piezoresponse force microscopy (PFM) and polarization-voltage measurements. A second-order phase transition from the polar orthorhombic phase to the non-polar tetragonal phase was observed. Density functional theory calculations confirm our experimental results and propose that oxygen vacancies are responsible for the Curie–Weiss temperature of 130 °C, significantly lower than the theoretical value for the bulk.