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 | |
| State | Published - Oct 18 2017 |
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All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
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Soft phonon mode dynamics in Aurivillius-type structures. / Maurya, Deepam; Charkhesht, Ali; Nayak, Sanjeev K.; Sun, Fu Chang; George, Deepu; Pramanick, Abhijit; Kang, Min Gyu; Song, Hyun Cheol; Alexander, Marshall M.; Lou, Djamila; Khodaparast, Giti A.; Alpay, S. P.; Vinh, N. Q.; Priya, Shashank.
In: Physical Review B, Vol. 96, No. 13, 134114, 18.10.2017.Research output: Contribution to journal › Article
TY - JOUR
T1 - Soft phonon mode dynamics in Aurivillius-type structures
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.
UR - http://www.scopus.com/inward/record.url?scp=85037135948&partnerID=8YFLogxK
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U2 - 10.1103/PhysRevB.96.134114
DO - 10.1103/PhysRevB.96.134114
M3 - Article
AN - SCOPUS:85037135948
VL - 96
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 2469-9950
IS - 13
M1 - 134114
ER -