Room temperature phase superposition as origin of enhanced functional properties in BaTiO3 - based ceramics

Horchidan, Nadejda; Padurariu, Leontin; Ciomaga, Cristina Elena; Curecheriu, Lavinia; Airimioaei, Mirela; Doroftei, Florica; Tufescu, Florin Mihai; Mitoşeriu, Liliana

doi:10.1016/j.jeurceramsoc.2019.11.088

Cited by 25 publications

(13 citation statements)

References 44 publications

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“…We have also used different functionals (see the Methods section) to calculate the structural parameters and free energies of 2D PbO in FE and paraelectric (PE) phases (see Table S2) and confirmed that the free energy of 2D PbO in the FE phase is lower than that of the PE phase, demonstrating the stability of 2D FE PbO. Previous studies − have also revealed an alternative approach to determine the polarization path under an applied electric field at a fixed temperature, which may also be beneficial for analyzing the switching mechanism of 2D FE PbO. Nevertheless, the smooth energy change between FE and −FE states through the saddle point (PE) suggests easy transformation, ensuring fast ferroelectric switching for practical applications.…”

Section: Results and Discussionsupporting

confidence: 58%

Intrinsic Valley Polarization and High-Temperature Ferroelectricity in Two-Dimensional Orthorhombic Lead Oxide

Jia

Luo

Hao

et al. 2021

ACS Appl. Mater. Interfaces

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Recent years have witnessed a surge of research in twodimensional (2D) ferroelectric structures that may circumvent the depolarization effect in conventional perovskite oxide films. Herein, by first-principles calculations, we predict that an orthorhombic phase of lead(II) oxide, PbO, serves as a promising candidate for 2D ferroelectrics with good stability. With a semiconducting nature, 2D ferroelectric PbO exhibits intrinsic valley polarization, which leads to robust ferroelectricity with an in-plane spontaneous polarization of 2.4 × 10 −10 C/m and a Curie temperature of 455 K. Remarkably, we reveal that the ferroelectricity is strain-tunable, and ferroelasticity coexists in the PbO film, implying the realization of 2D multiferroics. The underlying physical mechanism is generally applicable and can be extended to other oxide films such as ferroelectric SnO and GeO, thus paving an avenue for future design and fabrication of functional ultrathin devices that are compatible with Si-based technology.

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Section: Results and Discussionsupporting

confidence: 58%

Intrinsic Valley Polarization and High-Temperature Ferroelectricity in Two-Dimensional Orthorhombic Lead Oxide

Jia

Luo

Hao

et al. 2021

ACS Appl. Mater. Interfaces

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“…In recent years, BaTiO 3 -based piezoelectric ceramics have attracted considerable attention because of their tunable phase structures and good piezoelectric response [1][2][3][4][5][6][7][8][9][10]. Generally, the boosted piezoelectric response is always accompanied with the formation of morphotropic phase boundary (MPB) or polymorphic phase transition (PPT).…”

Section: Introductionmentioning

confidence: 99%

Polymorphic Phase Transition and Piezoelectric Performance of BaTiO3-CaSnO3 Solid Solutions

et al. 2021

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BaTiO3-based piezoelectric ceramics have attracted considerable attention in recent years due to their tunable phase structures and good piezoelectric properties. In this work, the (1 − x)BaTiO3−xCaSnO3 (0.00 ≤ x ≤ 0.16, abbreviated as BT−xCS) solid solutions, were prepared by traditional solid-state reaction methods. The phase transitions, microstructure, dielectric, piezoelectric, and ferroelectric properties of BT-xCS have been investigated in detail. The coexistence of rhombohedral, orthorhombic, and tetragonal phases near room temperature, i.e., polymorphic phase transition (PPT), has been confirmed by X-ray diffraction and temperature-dependent dielectric measurements in the compositions range of 0.06 ≤ x ≤ 0.10. The multiphase coexistence near room temperature provides more spontaneous polarization vectors and facilitates the process of polarization rotation and extension by an external electric field, which is conducive to the enhancement of piezoelectric response. Remarkably, the composition of BT-0.08CS exhibits optimized piezoelectric properties with a piezoelectric coefficient d33 of 620 pC/N, electromechanical coupling factors kp of 58%, kt of 40%, and a piezoelectric strain coefficient d33* of 950 pm/V.

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“…The formation and synthesis of stable BaTiO 3 polymorphs is of high interest since new polarization rotation mechanisms are provided, mainly favored by the mobility of Ti 4+ . 5,14 In this line, superposition of orthorhombic and tetragonal phases is obtained 34–36 and there are interesting works where the coexistence of morphotropic phase boundaries between cubic and tetragonal phases, 37 the formation of polymorphic phase boundaries 38 or monoclinic and/or orthorhombic phases induced by poling 35 are demonstrated. These are clear examples of the remarkable versatility of the perovskite structure of BaTiO 3 to form metastable structures that possess interesting dielectric properties and can be competitive to those commonly found in lead-based ceramics series.…”

Section: Introductionmentioning

confidence: 93%

A feasible pathway to stabilize monoclinic and tetragonal phase coexistence in barium titanate-based ceramics

et al. 2022

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Room temperature phase superposition as origin of enhanced functional properties in BaTiO3 - based ceramics

Cited by 25 publications

References 44 publications

Intrinsic Valley Polarization and High-Temperature Ferroelectricity in Two-Dimensional Orthorhombic Lead Oxide

Intrinsic Valley Polarization and High-Temperature Ferroelectricity in Two-Dimensional Orthorhombic Lead Oxide

Polymorphic Phase Transition and Piezoelectric Performance of BaTiO3-CaSnO3 Solid Solutions

A feasible pathway to stabilize monoclinic and tetragonal phase coexistence in barium titanate-based ceramics

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