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

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17 Scopus citations

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 (US)
Article number	134114
Journal	Physical Review B
Volume	96
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevB.96.134114
State	Published - Oct 18 2017
Externally published	Yes

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© 2017 American Physical Society.

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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.",

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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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Soft phonon mode dynamics in Aurivillius-type structures

Abstract

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