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Erschienen in: Journal of Materials Science: Materials in Electronics 4/2017

01.11.2016

Investigation and theoretical calculation of the lattice vibrational spectra of BaZrO3 ceramic

verfasst von: Feng Shi, Helei Dong, Qin Liu, Jun Yang, Shihao Ren, Haiqing Sun, Jijun Xiong

Erschienen in: Journal of Materials Science: Materials in Electronics | Ausgabe 4/2017

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Abstract

BaZrO3 ceramic was synthesized by the conventional solid-state reaction method. The crystal structures were studied via X-ray diffraction, and lattice vibrational modes were obtained via Raman and Fourier transform far-infrared reflection spectroscopy. The results show that the BaZrO3 ceramic has a cubic perovskite structure. The Raman spectrum was fitted by the Lorentzian function, and the vibrators were assigned. The far-infrared spectrum with active modes was fitted using the four-parameter semiquantum models. Consequently, the modes were assigned as F 1u (1) (122 cm−1), F 1u (2) (215 cm−1) and F 1u (3) (531 cm−1). The Raman vibrator A 1g , which has the highest wavenumber, is dominated by the breath vibration of the ZrO6 octahedron. Infrared modes F 1u (1) and F 1u (2) have the most contributions to the dielectric properties.

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Literatur
1.
Zurück zum Zitat J. Kreisel, P. Bouvier, M. Maglione, B. Dkhil, A. Simon, High-pressure Raman investigation of the Pb-free relaxor BaTi0.65Zr0.35O3. Phys. Rev. B 69, 092104 (2004)CrossRef J. Kreisel, P. Bouvier, M. Maglione, B. Dkhil, A. Simon, High-pressure Raman investigation of the Pb-free relaxor BaTi0.65Zr0.35O3. Phys. Rev. B 69, 092104 (2004)CrossRef
2.
Zurück zum Zitat M.L. Moreira, J. Andres, J.A. Varela, E. Longo, Synthesis of fine micro-sized BaZrO3 powders based on a decaoctahedron shape by the microwave-assisted hydrothermal method. Cryst. Growth Des. 9(2), 833–839 (2009)CrossRef M.L. Moreira, J. Andres, J.A. Varela, E. Longo, Synthesis of fine micro-sized BaZrO3 powders based on a decaoctahedron shape by the microwave-assisted hydrothermal method. Cryst. Growth Des. 9(2), 833–839 (2009)CrossRef
3.
Zurück zum Zitat A. Slodczyk, P. Colomban, D. Lamago, M.H. Limage, F. Romain, S. Willemin, B. Sala, Phase transitions in the H+-conducting perovskite ceramicsby the quasi-elastic neutron and high-pressure Raman scattering. Ionics 14, 215–222 (2008)CrossRef A. Slodczyk, P. Colomban, D. Lamago, M.H. Limage, F. Romain, S. Willemin, B. Sala, Phase transitions in the H+-conducting perovskite ceramicsby the quasi-elastic neutron and high-pressure Raman scattering. Ionics 14, 215–222 (2008)CrossRef
4.
Zurück zum Zitat M.D. Gonçalves, P.S. Maram, R. Muccillo, A. Navrotsky, Enthalpy of formation and thermodynamic insights into yttrium doped BaZrO3. J. Mater. Chem. A 2, 17840 (2014)CrossRef M.D. Gonçalves, P.S. Maram, R. Muccillo, A. Navrotsky, Enthalpy of formation and thermodynamic insights into yttrium doped BaZrO3. J. Mater. Chem. A 2, 17840 (2014)CrossRef
5.
Zurück zum Zitat C. Chemarin, N. Rosman, T. Pagnier, G. Lucazeau, A high-pressure Raman study of mixed perovskites BaCexZr1-xO3 (0 ≤ x≤1). J. Solid State Chem. 149, 298–307 (2000)CrossRef C. Chemarin, N. Rosman, T. Pagnier, G. Lucazeau, A high-pressure Raman study of mixed perovskites BaCexZr1-xO3 (0 ≤ x≤1). J. Solid State Chem. 149, 298–307 (2000)CrossRef
6.
Zurück zum Zitat A. Bisen, A. Satapathy, S. Parida, E. Sinha, S.K. Rout, M. Kar, Structural, optical band gap, microwave dielectric properties and dielectric resonant antenna studies of Ba(1−x)La(2x/3)ZrO3 (0 ≤ x≤0.1) ceramics. J. Alloys Compd. 615, 1006–1012 (2014)CrossRef A. Bisen, A. Satapathy, S. Parida, E. Sinha, S.K. Rout, M. Kar, Structural, optical band gap, microwave dielectric properties and dielectric resonant antenna studies of Ba(1−x)La(2x/3)ZrO3 (0 ≤ x≤0.1) ceramics. J. Alloys Compd. 615, 1006–1012 (2014)CrossRef
7.
Zurück zum Zitat S. Parida, S.K. Rout, L.S. Cavalcante, E. Sinha, M. Siu Li, V. Subramanian, N. Gupta, V.R. Gupta, J.A. Varela, E. Longo, Structural refinement, optical and microwave dielectric properties of BaZrO3. Ceram. Int. 38, 2129–2138 (2012)CrossRef S. Parida, S.K. Rout, L.S. Cavalcante, E. Sinha, M. Siu Li, V. Subramanian, N. Gupta, V.R. Gupta, J.A. Varela, E. Longo, Structural refinement, optical and microwave dielectric properties of BaZrO3. Ceram. Int. 38, 2129–2138 (2012)CrossRef
8.
Zurück zum Zitat P.G. Sundell, M.E. Bjorketun, G. Wahnstrom, Thermodynamics of doping and vacancy formation in BaZrO3 perovskite oxide from density functional calculations. Phys. Rev. B 73, 104112 (2006)CrossRef P.G. Sundell, M.E. Bjorketun, G. Wahnstrom, Thermodynamics of doping and vacancy formation in BaZrO3 perovskite oxide from density functional calculations. Phys. Rev. B 73, 104112 (2006)CrossRef
9.
Zurück zum Zitat M. Veith, S. Mathur, N. Lecerf, V. Huch, T. Decker, Sol–Gel synthesis of nano-scaled BaTiO3, BaZrO3 and BaTi0:5Zr0:5O3 oxides via single-source alkoxide precursors and semi-alkoxide routes. J. Sol-Gel Sci. Technol. 15, 145–158 (2000)CrossRef M. Veith, S. Mathur, N. Lecerf, V. Huch, T. Decker, Sol–Gel synthesis of nano-scaled BaTiO3, BaZrO3 and BaTi0:5Zr0:5O3 oxides via single-source alkoxide precursors and semi-alkoxide routes. J. Sol-Gel Sci. Technol. 15, 145–158 (2000)CrossRef
10.
Zurück zum Zitat E.C. Aguiar, A.Z. Simoes, C.A. Paskocimas, M. Cilense, E. Longo, J.A. Varela, Photoluminescence of BaZrO3 explained by a order/disorded transformation. J. Mater. Sci. Mater. Electron. 26, 1993–2001 (2015)CrossRef E.C. Aguiar, A.Z. Simoes, C.A. Paskocimas, M. Cilense, E. Longo, J.A. Varela, Photoluminescence of BaZrO3 explained by a order/disorded transformation. J. Mater. Sci. Mater. Electron. 26, 1993–2001 (2015)CrossRef
11.
Zurück zum Zitat D. Nuzhnyy, J. Petzelt, M. Savinov et al., Broadband dielectric response of Ba(Zr,Ti)O3 ceramics: from incipient via relaxor and diffuse up to classical ferroelectric behavior. Phys. Rev. B 86(1), 014106 (2012)CrossRef D. Nuzhnyy, J. Petzelt, M. Savinov et al., Broadband dielectric response of Ba(Zr,Ti)O3 ceramics: from incipient via relaxor and diffuse up to classical ferroelectric behavior. Phys. Rev. B 86(1), 014106 (2012)CrossRef
12.
Zurück zum Zitat J.W. Bennett, I. Grinberg, A.M. Rappe, Effect of symmetry lowering on the dielectric response of BaZrO3. Phys. Rev. B 73(18), 180102 (2006)CrossRef J.W. Bennett, I. Grinberg, A.M. Rappe, Effect of symmetry lowering on the dielectric response of BaZrO3. Phys. Rev. B 73(18), 180102 (2006)CrossRef
13.
Zurück zum Zitat M.A. Helal, T. Mori, S. Kojima, Softening of infrared-active mode of perovskite BaZrO3 proved by terahertz time-domain spectroscopy. Appl. Phys. Lett. 106(18), 182904 (2015)CrossRef M.A. Helal, T. Mori, S. Kojima, Softening of infrared-active mode of perovskite BaZrO3 proved by terahertz time-domain spectroscopy. Appl. Phys. Lett. 106(18), 182904 (2015)CrossRef
14.
Zurück zum Zitat Y.S. Zhao, D.J. Weidner, Thermal expansion of SrZrO3 and BaZrO3 perovskites. Phys. Chem. Miner. 18, 294–301 (1991)CrossRef Y.S. Zhao, D.J. Weidner, Thermal expansion of SrZrO3 and BaZrO3 perovskites. Phys. Chem. Miner. 18, 294–301 (1991)CrossRef
15.
Zurück zum Zitat C.L. Diao, C.H. Wang, J. Lu, F. Shi, X.P. Jing, First-principle calculation and assignment for vibrational spectra of Ba(Mg1/2W1/2)O3 microwave dielectric ceramic. J. Am. Ceram. Soc. 96(9), 2898–2905 (2013)CrossRef C.L. Diao, C.H. Wang, J. Lu, F. Shi, X.P. Jing, First-principle calculation and assignment for vibrational spectra of Ba(Mg1/2W1/2)O3 microwave dielectric ceramic. J. Am. Ceram. Soc. 96(9), 2898–2905 (2013)CrossRef
16.
Zurück zum Zitat M. Ferrari, L. Lutterotti, Method for the simultaneous determination of anisotropic residual stresses and texture by X-ray diffraction. J. Appl. Phys. 76(11), 7246–7255 (1994)CrossRef M. Ferrari, L. Lutterotti, Method for the simultaneous determination of anisotropic residual stresses and texture by X-ray diffraction. J. Appl. Phys. 76(11), 7246–7255 (1994)CrossRef
17.
Zurück zum Zitat P.I. Dahl, H.L. Lein, Y. Yu, J. Tolchard, T. Grande, M. Einarsrud, Microstructural characterization and electrical properties of spray pyrolyzed conventionally sintered or hot-pressed BaZrO3 and BaZr0.9Y0.1O3−δ. Solid State Ion. 182, 32–40 (2011)CrossRef P.I. Dahl, H.L. Lein, Y. Yu, J. Tolchard, T. Grande, M. Einarsrud, Microstructural characterization and electrical properties of spray pyrolyzed conventionally sintered or hot-pressed BaZrO3 and BaZr0.9Y0.1O3−δ. Solid State Ion. 182, 32–40 (2011)CrossRef
18.
Zurück zum Zitat N.K. Karan, R.S. Katiyar, T. Maiti, R. Guo, A.S. Bhalla, Raman spectral studies of Zr4+-rich BaZrxTi1−xO3 (0.5 ≤ x ≤ 1.00) phase diagram. J. Raman Spectrosc. 40(4), 370–375 (2009)CrossRef N.K. Karan, R.S. Katiyar, T. Maiti, R. Guo, A.S. Bhalla, Raman spectral studies of Zr4+-rich BaZrxTi1−xO3 (0.5 ≤ x ≤ 1.00) phase diagram. J. Raman Spectrosc. 40(4), 370–375 (2009)CrossRef
19.
Zurück zum Zitat P. Colomban, A. Slodczyk, Raman intensity: an important tool in the study of nanomaterials and nanostructures. Acta Phys. Pol. A 116(1), 7–12 (2009)CrossRef P. Colomban, A. Slodczyk, Raman intensity: an important tool in the study of nanomaterials and nanostructures. Acta Phys. Pol. A 116(1), 7–12 (2009)CrossRef
20.
Zurück zum Zitat S. Kamba, H. Hughes, D. Noujni, S. Surendran, R.C. Pullar, P. Samoukhina, J. Petzelt, R. Freer, N.M. Alford, D.M. Iddles, Relationship between microwave and lattice vibration properties in Ba(Zn1/3Nb2/3)O3-based microwave dielectric ceramics. J. Phys. D App. Phys. 37, 1980–1986 (2004)CrossRef S. Kamba, H. Hughes, D. Noujni, S. Surendran, R.C. Pullar, P. Samoukhina, J. Petzelt, R. Freer, N.M. Alford, D.M. Iddles, Relationship between microwave and lattice vibration properties in Ba(Zn1/3Nb2/3)O3-based microwave dielectric ceramics. J. Phys. D App. Phys. 37, 1980–1986 (2004)CrossRef
21.
Zurück zum Zitat Y. Li, X.P. Gao, G.R. Li, G.L. Pan, T.Y. Yan, H.Y. Zhu, Titanate nanofiber reactivity: fabrication of MTiO3 (M=Ca, Sr, and Ba) perovskite oxides. J. Phys. Chem. C 113, 4386–4394 (2009)CrossRef Y. Li, X.P. Gao, G.R. Li, G.L. Pan, T.Y. Yan, H.Y. Zhu, Titanate nanofiber reactivity: fabrication of MTiO3 (M=Ca, Sr, and Ba) perovskite oxides. J. Phys. Chem. C 113, 4386–4394 (2009)CrossRef
22.
Zurück zum Zitat D. Nuzhnyy, J. Petzelt, M. Savinov, T. Ostapchuk, V. Bovtun, Broadband dielectric response of Ba(Zr,Ti)O3 ceramics: from incipient via relaxor and diffuse up to classical ferroelectric behavior. Phy. Rev. B 86(1), 014106 (2012)CrossRef D. Nuzhnyy, J. Petzelt, M. Savinov, T. Ostapchuk, V. Bovtun, Broadband dielectric response of Ba(Zr,Ti)O3 ceramics: from incipient via relaxor and diffuse up to classical ferroelectric behavior. Phy. Rev. B 86(1), 014106 (2012)CrossRef
23.
Zurück zum Zitat M.A. Helal, T. Mori, S. Kojima, Softening of infrared-active mode of perovskite BaZrO3 proved by terahertz time-domain spectroscopy. Appl. Phys. Lett. 106, 182904 (2015)CrossRef M.A. Helal, T. Mori, S. Kojima, Softening of infrared-active mode of perovskite BaZrO3 proved by terahertz time-domain spectroscopy. Appl. Phys. Lett. 106, 182904 (2015)CrossRef
24.
Zurück zum Zitat C. Ostos, L. Mestres, M.L. Martinez-Sarrion, J.E. Garcia, A. Albareda, R. Perez, Synthesis and characterization of A-site deficient rare-earth doped BaZrxTi1−xO3 perovskite-type compounds. Solid State Sci. 11(5), 1016–1022 (2009)CrossRef C. Ostos, L. Mestres, M.L. Martinez-Sarrion, J.E. Garcia, A. Albareda, R. Perez, Synthesis and characterization of A-site deficient rare-earth doped BaZrxTi1−xO3 perovskite-type compounds. Solid State Sci. 11(5), 1016–1022 (2009)CrossRef
25.
Zurück zum Zitat H.P. Kumar, C. Vijayakumar, C.N. George, S. Solomon, R. Jose, J.K. Thomas, J. Koshy, Characterization and sintering of BaZrO3 nanoparticles synthesized through a single-step combustion process. J. Alloys Compd. 458(1), 528–531 (2008)CrossRef H.P. Kumar, C. Vijayakumar, C.N. George, S. Solomon, R. Jose, J.K. Thomas, J. Koshy, Characterization and sintering of BaZrO3 nanoparticles synthesized through a single-step combustion process. J. Alloys Compd. 458(1), 528–531 (2008)CrossRef
26.
Zurück zum Zitat F. Shi, S.H. Wu, The study on structure and dielectric properties of Ba(Zn1/3Nb2/3)O3-BaZrO3 system. Piezoelectr. Acoustoopt. 25(6), 480–482 (2003). (in Chinese) F. Shi, S.H. Wu, The study on structure and dielectric properties of Ba(Zn1/3Nb2/3)O3-BaZrO3 system. Piezoelectr. Acoustoopt. 25(6), 480–482 (2003). (in Chinese)
27.
Zurück zum Zitat J.W. Bennett, I. Grinberg, A.M. Rappe, Effect of symmetry lowering on the dielectric response of BaZrO3. Phys. Rev. B 73(18), 180102(R) (2006)CrossRef J.W. Bennett, I. Grinberg, A.M. Rappe, Effect of symmetry lowering on the dielectric response of BaZrO3. Phys. Rev. B 73(18), 180102(R) (2006)CrossRef
Metadaten
Titel
Investigation and theoretical calculation of the lattice vibrational spectra of BaZrO3 ceramic
verfasst von
Feng Shi
Helei Dong
Qin Liu
Jun Yang
Shihao Ren
Haiqing Sun
Jijun Xiong
Publikationsdatum
01.11.2016
Verlag
Springer US
Erschienen in
Journal of Materials Science: Materials in Electronics / Ausgabe 4/2017
Print ISSN: 0957-4522
Elektronische ISSN: 1573-482X
DOI
https://doi.org/10.1007/s10854-016-5944-9

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