Meštrić, Hrvoje ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis ; Kungl, Hans ; Hoffmann, Michael ; Schönau, Kristin ; Knapp, Michael ; Fuess, Hartmut (2006)
Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis.
In: Physical Review B, 73 (18)
doi: 10.1103/PhysRevB.73.184105
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
By utilizing multifrequency electron paramagnetic resonance (EPR) spectroscopy, the iron functional center in Fe3+-modified polycrystalline lead zirconate (PbZrO3) was studied. The single phase polycrystalline sample remained orthorhombic and antiferroelectric down to 20 K as confirmed by high-resolution synchrotron powder diffraction. The Fe3+ ions were identified as substituting for Zr4+ at the B-site of the perovskite ABO3 lattice. Similarly as found for Fe3+:PbTiO3 [Meštrić et al., Phys. Rev. B 71, 134109 (2005)], the value of the fine-structure (FS) parameter B20 is only consistent with a model in which a charged (FeZr′–VO••)• defect associate is formed. In contrast to a well defined iron functional center in lead titanate (PbTiO3) with FS parameters exhibiting variances of less than 3%, a strong broadening of the EPR powder pattern was observed in lead zirconate, indicating a much larger variance of FS parameters. It is suggested that the apparent broad distribution of fine-structure parameters arises from the system’s capability to realize different oxygen vacancy positions in the first coordination shell around the iron site. This proposed model of a small number of distinct iron-oxygen vacancy sites is supported by the observation that corresponding B20 and orthorhombic B22 FS parameters of these sites are anticorrelated, a property not expected for random distributions of fine-structure parameters.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2006 |
| Autor(en): | Meštrić, Hrvoje ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis ; Kungl, Hans ; Hoffmann, Michael ; Schönau, Kristin ; Knapp, Michael ; Fuess, Hartmut |
| Art des Eintrags: | Bibliographie |
| Titel: | Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis |
| Sprache: | Englisch |
| Publikationsjahr: | Mai 2006 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Review B |
| Jahrgang/Volume einer Zeitschrift: | 73 |
| (Heft-)Nummer: | 18 |
| DOI: | 10.1103/PhysRevB.73.184105 |
| Kurzbeschreibung (Abstract): | By utilizing multifrequency electron paramagnetic resonance (EPR) spectroscopy, the iron functional center in Fe3+-modified polycrystalline lead zirconate (PbZrO3) was studied. The single phase polycrystalline sample remained orthorhombic and antiferroelectric down to 20 K as confirmed by high-resolution synchrotron powder diffraction. The Fe3+ ions were identified as substituting for Zr4+ at the B-site of the perovskite ABO3 lattice. Similarly as found for Fe3+:PbTiO3 [Meštrić et al., Phys. Rev. B 71, 134109 (2005)], the value of the fine-structure (FS) parameter B20 is only consistent with a model in which a charged (FeZr′–VO••)• defect associate is formed. In contrast to a well defined iron functional center in lead titanate (PbTiO3) with FS parameters exhibiting variances of less than 3%, a strong broadening of the EPR powder pattern was observed in lead zirconate, indicating a much larger variance of FS parameters. It is suggested that the apparent broad distribution of fine-structure parameters arises from the system’s capability to realize different oxygen vacancy positions in the first coordination shell around the iron site. This proposed model of a small number of distinct iron-oxygen vacancy sites is supported by the observation that corresponding B20 and orthorhombic B22 FS parameters of these sites are anticorrelated, a property not expected for random distributions of fine-structure parameters. |
| Zusätzliche Informationen: | SFB 595 Cooperation A2, B1, B3 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie Zentrale Einrichtungen DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung > A - Synthese DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung > A - Synthese > Teilprojekt A2: Herstellung und Charakterisierung von PZT-Keramiken mit definierter Defektchemie DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung > B - Charakterisierung DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung > B - Charakterisierung > Teilprojekt B1: EPR Untersuchung von Defekten in ferroelektrischen keramischen Werkstoffen DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 595: Elektrische Ermüdung > B - Charakterisierung > Teilprojekt B3: Strukturelle Untersuchungen zur Aufklärung der elektrischen Ermüdung in PZT 07 Fachbereich Chemie DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche DFG-Sonderforschungsbereiche (inkl. Transregio) |
| Hinterlegungsdatum: | 27 Jul 2011 12:39 |
| Letzte Änderung: | 05 Mär 2013 09:51 |
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