Ca-induced phonon softening in BaTiO3 revealed by inelastic x-ray and neutron scattering

Kimura K, Tsutsui S, Yamamoto Y, Nakano A, Kawamura K, Kajimoto R, Kamazawa K, Martin A, Webber KG, Kakimoto K, Hayashi K (2024)

Publication Type: Journal article

Publication year: 2024

Journal

Physical Review B American Physical Society

Book Volume: 110

Article Number: 134314

Journal Issue: 13

DOI: 10.1103/PhysRevB.110.134314

Abstract

We performed inelastic x-ray and neutron scattering (IXS and INS) experiments for (Ba,Ca)TiO3 single crystals to elucidate the effect of Ca doping on the atomic dynamics. Dispersion relations of transverse phonons in BaTiO3, (Ba0.9Ca0.1)TiO3, and (Ba0.8Ca0.2)TiO3 were determined. The A-site-O vibrational mode as well as the acoustic mode were observed both by IXS and INS, whereas the Ti-O soft mode was detected only by INS. It was found that the A-site-O vibration exhibits significant softening with increasing Ca concentration, while the Ti-O soft mode is almost unaffected by the Ca doping. This finding is discussed in comparison with the polarization hysteresis loops and piezoelectric coefficients of (Ba,Ca)TiO3. It is indicated that the softening of the A-site-O vibration contributes to the enhancement of the piezoelectricity of Ca-doped BaTiO3-based materials.

Authors with CRIS profile

Kyle Grant Webber Professur für Werkstoffwissenschaften (Funktionskeramik)

Involved external institutions

Nagoya Institute of Technology / 名古屋工業大学 Nagoya Kōgyō Daigaku JP Japan (JP) Japan Synchrotron Radiation Research Institute (JASRI) JP Japan (JP) Nara Institute of Science and Technology (NAIST) / 奈良先端科学技術大学院大学 JP Japan (JP) Nagoya University / 名古屋大学 JP Japan (JP) Japan Proton Accelerator Research Complex (J-PARC) JP Japan (JP) CROSS Neutron Science and Technology Center / CROSS中性子科学センター JP Japan (JP)

How to cite

APA:

Kimura, K., Tsutsui, S., Yamamoto, Y., Nakano, A., Kawamura, K., Kajimoto, R.,... Hayashi, K. (2024). Ca-induced phonon softening in BaTiO3 revealed by inelastic x-ray and neutron scattering. Physical Review B, 110(13). https://doi.org/10.1103/PhysRevB.110.134314

MLA:

Kimura, K., et al. "Ca-induced phonon softening in BaTiO3 revealed by inelastic x-ray and neutron scattering." Physical Review B 110.13 (2024).

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