X-Ray and Neutron Diffraction Study of Antiferroelectric Lead Zirconate, PbZr<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Jona, F.; Shirane, G.; Mazzi, F.; Pepinsky, R.

doi:10.1103/physrev.105.849

Cited by 259 publications

(107 citation statements)

References 16 publications

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“…According to the theory of dielectric response of relaxor ferroelectrics [25], when the coupling reaction between A-site cation and BO 6 octahedron decreases, the stability of the ferroelectric domain decreases. Thus the generation of A-site vacancies, in the studied sample, is likely to reduce the degree of the FE long-range coupling between the A-site cation and the BO 6 octahedron, thereby inducing the transformation of the FE to the AFE state, producing a lower T d value [26]. The enhanced AFE state is likely to increase T m to a higher value.…”

Section: Resultsmentioning

confidence: 99%

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Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Wei

et al. 2013

Chin. Sci. Bull.

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Antiferroelectric 0.94(Bi 0.534 Na 0.5 )TiO 3 -0.06BaTiO 3 ceramics were prepared using a solid-state reaction method, involving the addition of excessive amounts of Bi 2 O 3 . The resulting ceramics featured a very high phase transition temperature (T m ~330°C), from the antiferroelectric to the paraelectric phase, and a low depolarization temperature (T d < 25°C). The broad temperature range, within which antiferroelectric properties are retained, of the prepared materials indicates their higher potential over lead-based antiferroelectric ceramics such as PZT-based materials that exhibit a lower T m ≤ 170°C. The lower T d and higher T m obtained values, relative to those reported in the literature, are believed to be due to the formation of A-site vacancies originating from the incorporation of excess Bi into the perovskite structure of the studied sample. In addition, the synthesized sample shows a high dielectric constant of ~1460, in a temperature range of 50-150°C at 1 kHz, and a high energy storage density of 0.71 J/cm 3 , which is an asset in energy storage capacitor applications. have been extensively studied and applied. However, the restricted use and elimination of toxic lead in these materials is underway in accordance to environmental legislation. Moreover, most PZT-based materials show low AFE-paraelectric (PE) phase transition temperatures, typically T m ≤ 170°C [10,11]. The low transition temperature limits the use of these materials in high temperature-related applications, thereby directing research to lead-free AFE materials with higher AFE-PE phase transition temperatures.In the past decades, (1-x)(Bi 0.5 Na 0.5 )TiO 3 -xBaTiO 3 (BNTxBT) lead-free ceramics have been thoroughly investigated [12][13][14]. Early studies showed that BNT-xBT ceramics exhibit a morphotropic phase boundary (MPB) between the FE rhombohedral phase (R3c) and the FE tetragonal phase (p4mm) at x ≈ 6 mol%. Furthermore, phase transition from FE to AFE, at the MPB, has been reported to occur at a relatively high depolarization temperature T d ~140°C [14]. Recently, Ma et al. [15] reported that at x = 0.06, phase segregation between the FE R3c and relaxor AFE P4bm phases preferentially takes place over phase separation between the FE R3c and FE P4mm phases. Also, transformation from the FE R3c to the relaxor AFE P4bm phase was reported to occur at a lower T d ~114°C [15]. To further reduce T d , Zhang et al.[16] studied K 0.5 Na 0.5 NbO 3 (KNN)-doped BNT-BT ceramics. Although the latter materials displayed AFE character at room temperature, the materials showed a low AFE-PE T m ~210°C. Recently, it was report-

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Section: Resultsmentioning

confidence: 99%

“…To date, lead-based AFE materials including PZ [6], PZT [7], PLZT [8], and PLZST [9] have been extensively studied and applied. However, the restricted use and elimination of toxic lead in these materials is underway in accordance to environmental legislation.…”

mentioning

confidence: 99%

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Wei

et al. 2013

Chin. Sci. Bull.

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“…Nevertheless its dielectric [33][34][35][36], piezoelectric [37] and structural [38][39][40] properties as well as the ones with \10% of PbTiO 3 [9] were studied as early as the 50s. The existence of a ferroelectric rhombohedral phase on a narrow range of temperature (503-506 K upon heating and 505-500 K upon cooling) between the paraand antiferroelectric phases was confirmed later [41][42][43] and a detailed study of the phase transitions by combined X-ray diffraction, dielectric and birefringence measurements determined the displacement of lead atoms (described by Kittel's theory of antiferroelectricity [44]) as well as the oxygen octahedra rotation [45].…”

Section: Temperature-composition Phase Diagrammentioning

confidence: 99%

Strain on ferroelectric thin films

Janolin

2009

J Mater Sci

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Strain engineering aims to take advantage of the stress field imposed by substrates on thin films. It requires an understanding of the consequences of stress fields on the physical properties of the deposited materials. This is achieved in ferroelectric thin films through the use of misfit-strain phase diagrams that show the stability regions for the possible phases. These encompass bulk phases as well as new ones exhibiting symmetries that are not present in the bulk. For the solid solution lead zirconate-lead titanate, Pb(Zr 1-x Ti x )O 3 , monoclinic phases found in the bulk morphotropic phase boundary region and associated to concentrations exhibiting the highest properties can be stabilized on a wider range of composition in thin films. In addition, phases of lower symmetry can be stabilized through the use of anisotropic biaxial stress fields, generated by orthorhombic substrates for example. Another crucial aspect of the influence of biaxial stress fields is the generation of domain structures. Theoretical tools as well as experimental verifications have provided much insight on the underlying physics. We, therefore, present here an overview of the influence of both iso-and anisotropic biaxial stress fields on the structures and properties of ferroelectric thin films exemplified on Pb(Zr 1-x Ti x )O 3 .

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“…In literature, structure of PZO has been experimentally studied from X-ray and neutron diffraction techniques [10][11][12][13][14][15][16][17][18] while theoretical reports are based on density functional theory (DFT) [19,20]. PZO has shown three stable phases: (antiferroelectric) orthorhombic phase up to 230…”

Section: Introductionmentioning

confidence: 99%

Under Pressure DFT Investigations on Optical and Electronic Properties of PbZrO₃

et al. 2018

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In this article, density functional theory has been used to investigate the structural and optoelectronic properties of PbZrO3 (PZO) under pressure from 0 to 350 GPa. In order to achieve ground state structural stability, generalized gradient approximations has been utilized. By studying electronic properties, indirect band-gap nature of PZO appears to change at 15 GPa to direct band-gap. Optical analysis include under pressure responses of real and imaginary parts of dielectric function, optical conductivity, optical absorption coefficient, energy loss function, refractive index, reflectivity and extinction coefficient. Most of the results have been found to be consistent with literature. Study reveals that static dielectric constant and band-gap are in accordance with the Penn model which validates our computed results. Moreover, static dielectric constant and static refractive index directly increases with pressure. Material preserves its positive value of refractive index at all pressures and therefore, it is not a negative index metamaterial. Plasma frequency increases directly with pressure that destabilize the under study material. Our results could be very useful for developing novel optoelectronic devices based on PZO suitable to work under extreme conditions.

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X-Ray and Neutron Diffraction Study of Antiferroelectric Lead Zirconate, PbZrO3

Cited by 259 publications

References 16 publications

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Strain on ferroelectric thin films

Under Pressure DFT Investigations on Optical and Electronic Properties of PbZrO₃

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X-Ray and Neutron Diffraction Study of Antiferroelectric Lead Zirconate, PbZrO3

Cited by 259 publications

References 16 publications

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Strain on ferroelectric thin films

Under Pressure DFT Investigations on Optical and Electronic Properties of PbZrO3

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Under Pressure DFT Investigations on Optical and Electronic Properties of PbZrO₃