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  Ferroelectric soft mode of polar ZnTiO3 investigated by Raman spectroscopy at high pressure

Ruiz-Fuertes, J., Winkler, B., Bernert, T., Bayarjargal, L., Morgenroth, W., Koch-Mueller, M., et al. (2015). Ferroelectric soft mode of polar ZnTiO3 investigated by Raman spectroscopy at high pressure. Physical Review B, 91(21), 214110-1-214110-8. doi:10.1103/PhysRevB.91.214110.

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Ruiz-Fuertes, J.1, Author
Winkler, B.1, Author
Bernert, Thomas2, Author              
Bayarjargal, L.1, Author
Morgenroth, W.1, Author
Koch-Mueller, M.3, Author
Refson, K.4, Author
Milman, V.5, Author
Tamura, N.6, Author
Affiliations:
1Institut für Geowissenschaften, Goethe-Universität, Altenhöferallee 1, 60438 Frankfurt am Main, Germany, ou_persistent22              
2Research Group Weidenthaler, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1950291              
3GFZ Potsdam, Sektion 3.3, Telegrafenberg, 14473 Potsdam, Germany, ou_persistent22              
4Department of Physics, Royal Holloway, University of London Egham, Surrey TW20 0EX, United Kingdom, ou_persistent22              
5Dassault Systèmes BIOVIA, 334 Science Park, Cambridge CB4 0WN, United Kingdom, ou_persistent22              
6Advanced Light Source, Berkeley, California 94720, USA, ou_persistent22              

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 Abstract: We explore the vibrational behavior and stability of ferroelectric ZnTiO3 under high pressure by Raman spectroscopy and second-harmonic-generation (SHG) measurements. Ab initio lattice-dynamics calculations have been employed to solve a controversy concerning the phonon-dispersion relations of ZnTiO3 and to carry out an assignment of the Raman modes. A ferroelectric to paraelectric phase transition has been observed both by Raman spectroscopy and SHG at 20.8 GPa. Contrary to LiNbO3, the ferroelectric soft mode of ZnTiO3 has been found to be the A1(2) and not the A1(1) mode. The calculated eigenvectors show that the A1(2) mode of ferroelectric ZnTiO3 is an antiphase vibration of the Ti atom against the oxygen framework, similar to the soft modes observed in ferroelectric perovskites. The SHG signal of ZnTiO3 has been found to be independent of the grain size below the phase transition, indicating that ZnTiO3 is a phase-matchable compound.

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Language(s): eng - English
 Dates: 2015-06-222015-06-01
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevB.91.214110
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 91 (21) Sequence Number: - Start / End Page: 214110-1 - 214110-8 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/954925225008