Simulation of oxygen vacancy induced phenomena in ferroelectric thin films

Li, Kwok Tung; Lo, Veng Cheong

doi:10.1063/1.1846947

Cited by 39 publications

(25 citation statements)

References 34 publications

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“…The details of this model have been described before. 6,13 The film is represented by the two-dimensional array of cells in xz plane. The size of the system is N x N z , where N x and N z are the numbers of cells along the x and z axes, respectively.…”

Section: Theory and Modelingmentioning

confidence: 99%

“…The system is initially unpoled and the initialization of the system of pseudospins has been discussed previously. 13 In order to simulate a film of finite thickness and of infinite width, free boundary condition is applied for both the top ͑j =1͒ and bottom ͑j = N z ͒ surfaces, and periodic boundary condition is adopted along the transverse direction. The film is subject to the alternating external electric field and stress which have the following common properties: ͑1͒ longitudinal, ͑2͒ triangular wave form, ͑3͒ of the same frequency, and ͑4͒ uniform in space.…”

Section: ͑3͒mentioning

confidence: 99%

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Simulation of electromechanical responses of ferroelectric ceramics driven by combined alternating electrical and mechanical loadings

Chung

Chow

2007

Journal of Applied Physics

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The experimental result on dielectric and mechanical properties of PbZr x Ti 1−x O 3 driven by combined alternating electrical and mechanical loadings in various phase differences has been obtained by Zhou et al. ͓J. Appl. Phys. 96, 6634 ͑2004͔͒. This paper presents the numerical simulation of this result using a two-dimensional four state Potts model. In this model, there are four different dipole orientations to reflect the coexistence of 90°and 180°domain walls. The coupling between the electrical and mechanical responses is implemented by the presence of two different ferroelastic strain states which are associated to the four different dipole orientations. The interactions of these dipoles and strains together with the mechanical energy density are incorporated into the system Hamiltonian. The enhanced and reduced electromechanical responses when the electric field and the compressive stress are out of phase and in phase, respectively, are reproduced by our model.

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Section: Theory and Modelingmentioning

confidence: 99%

Section: ͑3͒mentioning

confidence: 99%

Simulation of electromechanical responses of ferroelectric ceramics driven by combined alternating electrical and mechanical loadings

Chung

Chow

2007

Journal of Applied Physics

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“…For example, the presence of oxygen vacancies enhances the coercive field, 7,8 creates imprint effect by shifting the polarizationelectric field ͑P-E͒ loop along the electric field axis, 7,9 and causes polarization fatigue effect. 10,11 There are also a number of reports on the occurrence of double hysteresis loops in the presence of oxygen vacancies. [9][10][11][12][13] Ren 14 has presented a qualitative explanation for the presence of double hysteresis loop by considering the conformal alignment of defect dipoles along the spontaneous polarization P S direction imposed by the crystal symmetry.…”

Section: Introductionmentioning

confidence: 99%

“…10,11 There are also a number of reports on the occurrence of double hysteresis loops in the presence of oxygen vacancies. [9][10][11][12][13] Ren 14 has presented a qualitative explanation for the presence of double hysteresis loop by considering the conformal alignment of defect dipoles along the spontaneous polarization P S direction imposed by the crystal symmetry. Each of these dipoles is created by oxygen vacancy in the perovskite cell.…”

Section: Introductionmentioning

confidence: 99%

Investigating the effect of oxygen vacancy on the dielectric and electromechanical properties in ferroelectric ceramics

Chung

Cao

et al. 2008

Journal of Applied Physics

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The effect of oxygen vacancy on the dielectric and electromechanical properties in lead titanate zirconate based ferroelectric ceramics is discussed in this paper. The presence of oxygen vacancy forms a defect-dipole inside a perovskite cell. This defect-dipole contributes to the unswitchable polarization and influences the alignment of the ferroelectric dipole in the same cell as well. The latter is due to the displacement of the B-site cation, which contributes to the switchable polarization. It is found that a double hysteresis emerges when the alignment of defect-dipole conforms with the crystal orientation, which is perpendicular to the measured polarization. Moreover, the optimal electromechanical property can be obtained by careful adjustment of c-domain volume fraction and the alignment of defect dipoles. Monte Carlo simulation based on the four-state Potts model is presented. Calculation results are compared with experiments.

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“…However, it is observed that the switchable polarization of PZT films decreases when the PZT films are used for increased number of bipolar-voltage cycles. [6][7][8][9][10] This reduction in the switchable/remnant polarization, i.e. fatigue, limits the reliability and usage of the PZT films in device applications.…”

Section: Introductionmentioning

confidence: 99%

Polarization recovery in lead zirconate titanate thin films deposited on nanosheets-buffered Si (001)

et al. 2016

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Fatigue behavior of Pb(Zr,Ti)O3 (PZT) films is one of the deterrent factors that limits the use of these films in technological applications. Thus, understanding and minimization of the fatigue behavior is highly beneficial for fabricating reliable devices using PZT films. We have investigated the fatigue behavior of preferentially oriented PZT films deposited on nanosheets-buffered Si substrates using LaNiO3 bottom and top electrodes. The films show fatigue of up to 10% at 100 kHz, whereas no fatigue has been observed at 1 MHz. This frequency dependence of the fatigue behavior is found to be in accordance with Dawber–Scott fatigue model that explains the origin of the fatigue as migration of oxygen vacancies. Interestingly, a partial recovery of remnant polarization up to ∼97% of the maximum value is observed after 4×109 cycles which can be further extended to full recovery by increasing the applied electric field. This full recovery is qualitatively explained using kinetic approach as a manifestation of depinning of domains walls. The understanding of the fatigue behavior and polarization recovery that is explained in this paper can be highly useful in developing more reliable PZT devices.

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Simulation of oxygen vacancy induced phenomena in ferroelectric thin films

Cited by 39 publications

References 34 publications

Simulation of electromechanical responses of ferroelectric ceramics driven by combined alternating electrical and mechanical loadings

Simulation of electromechanical responses of ferroelectric ceramics driven by combined alternating electrical and mechanical loadings

Investigating the effect of oxygen vacancy on the dielectric and electromechanical properties in ferroelectric ceramics

Polarization recovery in lead zirconate titanate thin films deposited on nanosheets-buffered Si (001)

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