Soft phonon mode dynamics in Aurivillius-type structures

Deepam Maurya, Ali Charkhesht, Sanjeev K. Nayak, Fu Chang Sun, Deepu George, Abhijit Pramanick, Min Gyu Kang, Hyun Cheol Song, Marshall M. Alexander, Djamila Lou, Giti A. Khodaparast, S. P. Alpay, N. Q. Vinh, Shashank Priya

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Abstract

We report the dynamics of soft phonon modes and their role toward various structural transformations in Aurivillius materials by employing terahertz frequency-domain spectroscopy, atomic pair distribution function analysis, and first-principles calculations. We have chosen Bi4Ti3O12 as a model system and identified soft phonon modes associated with the paraelectric tetragonal to the ferroelectric monoclinic transition. Three soft phonon modes have been discovered that exhibit a strong temperature dependence. We have determined that the anharmonicity in Bi-O bonds plays a significant role in phonon softening, and that Bi cations play an important role in the emergence of ferroelectricity.

Original languageEnglish (US)
Article number134114
JournalPhysical Review B
Volume96
Issue number13
DOIs
StatePublished - Oct 18 2017

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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    Maurya, D., Charkhesht, A., Nayak, S. K., Sun, F. C., George, D., Pramanick, A., Kang, M. G., Song, H. C., Alexander, M. M., Lou, D., Khodaparast, G. A., Alpay, S. P., Vinh, N. Q., & Priya, S. (2017). Soft phonon mode dynamics in Aurivillius-type structures. Physical Review B, 96(13), [134114]. https://doi.org/10.1103/PhysRevB.96.134114