Neutron Diffraction Studies of Pb(ZrxTi1-x)O3 Ceramics

Frantti, Johannes; Lappalainen, Jyrki; Eriksson, Sten; Lantto, V.; Nishio, S.; Kakihana, Masato; Иванов, С. А.; Rundlöf, Håkan

doi:10.1143/jjap.39.5697

Cited by 88 publications

(76 citation statements)

References 8 publications

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“…2 as a function of ferroelectric layer thickness from 3 nm to 500 nm. These calculations were done at each thickness for fully relaxed layers and for the layers that were completely strained as if they were grown on SrTiO 3 (100) substrate that has 3.905 Å in-plane lattice constant [26][27][28].…”

Section: Resultsmentioning

confidence: 99%

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
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Electrostatic interactions between thin films of two different ferroelectric materials lead to a layer of free charges localized at the interface between ferroelectrics according to a computational analysis presented in this work. The free charges at the interface between BaTiO 3 and PbZr 0.2 Ti 0.8 O 3 reduce polarization coupling strength significantly. This helps the layers to retain most of their single-layer polarizations and enables a layer-by-layer polarization switching, which has been observed in recent experimental studies. The sheet carrier density at the interface decreases by at least 8 orders of magnitude when the film thickness is reduced from 30 nm to 10 nm. This drop in the carrier density is accompanied by a strong increase of polarization coupling between ferroelectric layers. This polarization coupling transition can explain the difference between strong coupling in thin ferroelectric superlattices and weak coupling in thicker multilayer films.

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Section: Resultsmentioning

confidence: 99%

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
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“…Figure 1 shows the XRD pattern of PZT sample at room temperature. According to the literature, this XRD pattern corresponds to a tetragonal structure with a P4mm space group [9]. This type of structure was used as the initial model to perform Rietveld refinement.…”

Section: Methodsmentioning

confidence: 99%

Ti K-edge XANES and Pb L_III-edge EXAFS studies of PbZr_0.40Ti_0.60O₃ferroelectric material

Mesquita

Michalowicz

Mastelaro

2009

J. Phys.: Conf. Ser.

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Abstract. The structure of PbZr 0.40 Ti 0.60 O 3 crystalline ferroelectric material was studied by powder X-ray diffraction (XRD), X-ray absorption near-edge structure (XANES) at Ti K-edge and Extended X-ray Absorption Fine Structure (EXAFS) at Pb L III -edge. The XRD Rietveld refinement shows a tetragonal crystal structure. The resulting crystal model was used to calculate both theoretical XAFS spectra. The mismatch beween experimental and calculated XAFS spectra is interpreted as a consequence of the random distribution of Ti and Zr. The resulting disorder effect is averaged in the long-range structure probed by XRD whereas the XAFS techniques probe the local order of each site. IntroductionLead zirconate titanate (PbZr 1-x Ti x O 3 ) is an alloy of lead titanate (PbTiO 3 ) and lead zirconate (PbZrO 3 ) which presents a perovskite structure (ABO 3 ). This system has been studied due to its interesting piezoelectric, pyroelectric, ferroelectric and dielectric properties [1]. Because of these characteristics, PbZr 1-x Ti x O 3 (PZT) system has been used in a great number of applications in many areas, such as hydrophones, thermal imaging, nonvolatile memories, surface acoustic wave generators, capacitors and gas sensors [1].The PZT system exhibits a cubic structure at higher temperatures and three different structures at room temperature depending on the composition: tetragonal, orthorhombic or rhombohedral. According to the proposed phase diagram [2], at the titanium-rich side all compositions present tetragonal structure with P4mm symmetry. On the other hand depending on the composition and the temperature, two rhombohedral phases, R3m and R3c, are known to occur in Zr-rich PZT ceramics.Most XAFS works of the PZT system involve Zr-rich compositions [3]. On the other hand, there are few works available in the literature about the short-range order structure of Ti-rich compositions [4,5]. The most complete studies of Ti rich PZT compounds [5] are essentially devoted to the XAFS study of amorphous compounds and thin films prepared by sol-gel methods. On the contrary, the aim of the present study is to characterize the local structure of the tetragonal ferroelectric PbZr 0.40 Ti 0.60 O 3 system, prepared by ball milling and calcination, using XAFS at Ti K-edge and Pb L III -edge and to compare these local structures with those obtained by powder XRD refinement.

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“…It is also a nondestructive method without any contact to samples, and therefore ideal for the study of films already incorporated into devices. However, although Raman scattering has been extensively used in studies of physical properties and characterizations of PZT ceramics [3][4][5] and thin films, 6,7 only little has been addressed to the domain studies in PZT. We are only aware of one polarized Raman study of epitaxial PZT film ͑x = 0.4͒, 8 which has demonstrated Raman selection rules in c and a domains.…”

mentioning

confidence: 99%

Domain distributions in tetragonal Pb(Zr,Ti)O3 thin films probed by polarized Raman spectroscopy

Osada

Nishida

Wada

et al. 2005

Applied Physics Letters

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We have investigated polarized Raman spectra of (001)/(100)-oriented tetragonal epitaxial Pb(ZrxTi1−x)O3 (PZT) thin films (x=∼0.35) in which the volume fraction of the polar c domain is systematically varied from 4% to 96%. From polarization analyses using high epitaxial quality films, we have successfully isolated the A1 and B1 phonons from the E phonons, thus offering a distinctive evaluation of the c domains. As increasing c-domain volume, the A1(TO) modes linearly increase in their intensity. A remarkable correlation is found between the A1(1TO)-mode intensity and the c-domain volume for PZT films. We suggest that this correlation as well as the A1(1TO)-mode intensity provide a simple and useful probe for characterization of c-domain volume and ferroelectric properties in PZT-based devices.

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Neutron Diffraction Studies of Pb(Zr_xTi_1-x)O₃ Ceramics

Cited by 88 publications

References 8 publications

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
View full text Add to dashboard Cite

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
View full text Add to dashboard Cite

Ti K-edge XANES and Pb L_III-edge EXAFS studies of PbZr_0.40Ti_0.60O₃ferroelectric material

Domain distributions in tetragonal Pb(Zr,Ti)O3 thin films probed by polarized Raman spectroscopy

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Neutron Diffraction Studies of Pb(ZrxTi1-x)O3 Ceramics

Cited by 88 publications

References 8 publications

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8Salev1, Mahayni2, Grigoriev3 2016Phys. Rev. B12250View full textAdd to dashboardCite

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8Salev1, Mahayni2, Grigoriev3 2016Phys. Rev. B12250View full textAdd to dashboardCite

Ti K-edge XANES and Pb LIII-edge EXAFS studies of PbZr0.40Ti0.60O3ferroelectric material

Domain distributions in tetragonal Pb(Zr,Ti)O3 thin films probed by polarized Raman spectroscopy

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Neutron Diffraction Studies of Pb(Zr_xTi_1-x)O₃ Ceramics

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
View full text Add to dashboard Cite

Polarization coupling transition inBaTiO3/PbZr0.2Ti0.8
Salev
¹
,
Mahayni
²
,
Grigoriev
³

2016
Phys. Rev. B
12
2
5
0
View full text Add to dashboard Cite

Ti K-edge XANES and Pb L_III-edge EXAFS studies of PbZr_0.40Ti_0.60O₃ferroelectric material