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Title: Coexistence of Soft Modes and Dynamic Ti Disorder in Cubic BaTiO3 Studied by Inelastic Neutron Scattering

Abstract

The phonon dispersion relations in cubic BaTiO3 have been measured along the [100], [110], and [111] directions at T = 453 K using inelastic neutron scattering. The isotropic transverse acoustic (TA) branches indicate that the interatomic force constant between Ba and O atoms in BaTiO3 is large compared with that between Pb and O atoms in PbTiO3. The transverse optical (TO) branches along the [100] and [111] directions soften toward the Brillouin zone center. The TO branch along the [110] direction with [001] polarization is relatively low and flat, indicating the weak interatomic force constant between Ti and O atoms along the Ti–O chain. The intensity of inelastic diffuse scattering along the [100] and [110] directions increases with decreasing temperature down to 453 K. In conclusion, the present results suggest that the soft modes coexist with the dynamic Ti disorder in the Ti–O chain near the phase transition in the cubic phase.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2];  [3];  [4]
  1. Akita Univ., Akita (Japan)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. National Inst. of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan). Nanoelectronics Research Inst.
  4. Waseda Univ., Shinjuku, Tokyo (Japan)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1684666
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Physical Society of Japan
Additional Journal Information:
Journal Volume: 89; Journal Issue: 5; Journal ID: ISSN 0031-9015
Publisher:
Physical Society of Japan
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Citation Formats

Tomeno, Izumi, Fernandez-Baca, Jaime A., Chi, Songxue, Oka, Kunihiko, and Tsunoda, Yorihiko. Coexistence of Soft Modes and Dynamic Ti Disorder in Cubic BaTiO3 Studied by Inelastic Neutron Scattering. United States: N. p., 2020. Web. doi:10.7566/jpsj.89.054601.
Tomeno, Izumi, Fernandez-Baca, Jaime A., Chi, Songxue, Oka, Kunihiko, & Tsunoda, Yorihiko. Coexistence of Soft Modes and Dynamic Ti Disorder in Cubic BaTiO3 Studied by Inelastic Neutron Scattering. United States. https://doi.org/10.7566/jpsj.89.054601
Tomeno, Izumi, Fernandez-Baca, Jaime A., Chi, Songxue, Oka, Kunihiko, and Tsunoda, Yorihiko. Fri . "Coexistence of Soft Modes and Dynamic Ti Disorder in Cubic BaTiO3 Studied by Inelastic Neutron Scattering". United States. https://doi.org/10.7566/jpsj.89.054601. https://www.osti.gov/servlets/purl/1684666.
@article{osti_1684666,
title = {Coexistence of Soft Modes and Dynamic Ti Disorder in Cubic BaTiO3 Studied by Inelastic Neutron Scattering},
author = {Tomeno, Izumi and Fernandez-Baca, Jaime A. and Chi, Songxue and Oka, Kunihiko and Tsunoda, Yorihiko},
abstractNote = {The phonon dispersion relations in cubic BaTiO3 have been measured along the [100], [110], and [111] directions at T = 453 K using inelastic neutron scattering. The isotropic transverse acoustic (TA) branches indicate that the interatomic force constant between Ba and O atoms in BaTiO3 is large compared with that between Pb and O atoms in PbTiO3. The transverse optical (TO) branches along the [100] and [111] directions soften toward the Brillouin zone center. The TO branch along the [110] direction with [001] polarization is relatively low and flat, indicating the weak interatomic force constant between Ti and O atoms along the Ti–O chain. The intensity of inelastic diffuse scattering along the [100] and [110] directions increases with decreasing temperature down to 453 K. In conclusion, the present results suggest that the soft modes coexist with the dynamic Ti disorder in the Ti–O chain near the phase transition in the cubic phase.},
doi = {10.7566/jpsj.89.054601},
journal = {Journal of the Physical Society of Japan},
number = 5,
volume = 89,
place = {United States},
year = {2020},
month = {4}
}

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