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Elastic excitations in BaTiO_{3} single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy

Salje, Ekhard K. H. and Carpenter, Michael A. and Nataf, Guillaume F. and Picht, Gunnar and Webber, Kyle G. and Weerasinghe, Jeevaka and Lisenkov, S. and Bellaiche, L. (2013):
Elastic excitations in BaTiO_{3} single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy.
In: Physical Review B, APS, pp. 014106(1-10), 87, (1), ISSN 1098-0121, [Online-Edition: http://dx.doi.org/10.1103/PhysRevB.87.014106],
[Article]

Abstract

The dynamic properties of elastic domain walls in BaTiO3 were investigated using resonance ultrasonic spectroscopy (RUS). The sequence of phase transitions is characterized by minima in the temperature dependence of RUS resonance frequencies and changes in Q factors (resonance damping). Damping is related to the friction of mobile twin boundaries (90° ferroelectric walls) and distorted polar nanoregions (PNRs) in the cubic phase. Damping is largest in the tetragonal phase of ceramic materials but very low in single crystals. Damping is also small in the low-temperature phases of the ceramic sample and slightly increases with decreasing temperature in the single crystal. The phase angle between the real and imaginary part of the dynamic response function changes drastically in the cubic and tetragonal phases and remains constant in the orthorhombic phase. Other phases show a moderate dependence of the phase angle on temperature showing systematic changes of twin microstructures. Mobile twin boundaries (or sections of twin boundaries such as kinks inside twin walls) contribute strongly to the energy dissipation of the forced oscillation while the reduction in effective modulus due to relaxing twin domains is weak. Single crystals and ceramics show strong precursor softening in the cubic phase related to polar nanoregions (PNRs). The effective modulus decreases when the transition point of the cubic-tetragonal transformation is approached from above. The precursor softening follows temperature dependence very similar to recent results from Brillouin scattering. Between the Burns temperature (≈586 K) and Tc at 405 K, we found a good fit of the squared RUS frequency [∼Δ (C11−C12)] to a Vogel–Fulcher process with an activation energy of ∼0.2 eV. Finally, some first-principles-based effective Hamiltonian computations were carried out in BaTiO3 single domains to explain some of these observations in terms of the dynamics of the soft mode and central mode.

Item Type: Article
Erschienen: 2013
Creators: Salje, Ekhard K. H. and Carpenter, Michael A. and Nataf, Guillaume F. and Picht, Gunnar and Webber, Kyle G. and Weerasinghe, Jeevaka and Lisenkov, S. and Bellaiche, L.
Title: Elastic excitations in BaTiO_{3} single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy
Language: English
Abstract:

The dynamic properties of elastic domain walls in BaTiO3 were investigated using resonance ultrasonic spectroscopy (RUS). The sequence of phase transitions is characterized by minima in the temperature dependence of RUS resonance frequencies and changes in Q factors (resonance damping). Damping is related to the friction of mobile twin boundaries (90° ferroelectric walls) and distorted polar nanoregions (PNRs) in the cubic phase. Damping is largest in the tetragonal phase of ceramic materials but very low in single crystals. Damping is also small in the low-temperature phases of the ceramic sample and slightly increases with decreasing temperature in the single crystal. The phase angle between the real and imaginary part of the dynamic response function changes drastically in the cubic and tetragonal phases and remains constant in the orthorhombic phase. Other phases show a moderate dependence of the phase angle on temperature showing systematic changes of twin microstructures. Mobile twin boundaries (or sections of twin boundaries such as kinks inside twin walls) contribute strongly to the energy dissipation of the forced oscillation while the reduction in effective modulus due to relaxing twin domains is weak. Single crystals and ceramics show strong precursor softening in the cubic phase related to polar nanoregions (PNRs). The effective modulus decreases when the transition point of the cubic-tetragonal transformation is approached from above. The precursor softening follows temperature dependence very similar to recent results from Brillouin scattering. Between the Burns temperature (≈586 K) and Tc at 405 K, we found a good fit of the squared RUS frequency [∼Δ (C11−C12)] to a Vogel–Fulcher process with an activation energy of ∼0.2 eV. Finally, some first-principles-based effective Hamiltonian computations were carried out in BaTiO3 single domains to explain some of these observations in terms of the dynamics of the soft mode and central mode.

Journal or Publication Title: Physical Review B
Volume: 87
Number: 1
Publisher: APS
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Elektromechanik von Oxiden
11 Department of Materials and Earth Sciences > Material Science > Nonmetallic-Inorganic Materials
Date Deposited: 18 Mar 2013 14:02
Official URL: http://dx.doi.org/10.1103/PhysRevB.87.014106
Identification Number: doi:10.1103/PhysRevB.87.014106
Funders: EKHS is grateful to the Leverhulme Trust (RG66640) and EPSRC (EP/K009702/1) for support The RUS facilities in Cambridge were established through a grant from NERC (NE/B 505738/1) J.W. and L.B. acknowledge the financial support of NSF DMR-1066158 and , DMR-0701558. They also acknowledge ONR Grants N00014-11-1-0384 and N00014- 08-1-0915, the Department of Energy, Office of Basic Energy Sciences,undercontractER-46612,andAROGrantW911NF- 12-1-0085 for discussions with scientists sponsored by these grants., Some computations were also made possible thanks to the MRI Grant 0722625 from NSF, ONR Grant N00014-07- 1-0825 (DURIP), and a Challenge Grant from the Department of Defense.
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