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

doi:10.1103/PhysRevB.96.134114

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^*

^*Corresponding author for this work

Department of Materials Science and Engineering

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

17 Citations (Scopus)

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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 language	English
Article number	134114
Journal	Physical Review B
Volume	96
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevB.96.134114
Publication status	Published - 18 Oct 2017

Publisher's Copyright Statement

COPYRIGHT TERMS OF DEPOSITED FINAL PUBLISHED VERSION FILE: 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 The copyright of this article is owned by American Physical Society.

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title = "Soft phonon mode dynamics in Aurivillius-type structures",

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.",

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

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AU - Maurya, Deepam

AU - Charkhesht, Ali

AU - Nayak, Sanjeev K.

AU - Sun, Fu-Chang

AU - George, Deepu

AU - Pramanick, Abhijit

AU - Kang, Min-Gyu

AU - Song, Hyun-Cheol

AU - Alexander, Marshall M.

AU - Lou, Djamila

AU - Khodaparast, Giti A.

AU - Alpay, S. P.

AU - Vinh, N. Q.

AU - Priya, Shashank

PY - 2017/10/18

Y1 - 2017/10/18

N2 - 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.

AB - 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.

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DO - 10.1103/PhysRevB.96.134114

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VL - 96

JO - Physical Review B

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Soft phonon mode dynamics in Aurivillius-type structures

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