@article{b6bb65cf8fc24ebdad8c2eda28d034d5,
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 Sun, {Fu Chang} and Deepu George and Abhijit Pramanick and Kang, {Min Gyu} and Song, {Hyun Cheol} and Alexander, {Marshall M.} and Djamila Lou and Khodaparast, {Giti A.} and Alpay, {S. P.} and Vinh, {N. Q.} and Shashank Priya",
note = "Funding Information: This paper was supported by the Air Force Office of Scientific Research (AFOSR) through Grant No. FA9550-14-1-0376. The THz-dielectric research was supported by the Institute of Critical Technology and Applied Sciences (ICTAS) at Virginia Tech. M.G.K. and H.C.S. acknowledge financial support through the US Department of Energy Program (Grant No. DE-FG02-06ER46290). The computational resources from the Taylor L. Booth Engineering Center for Advanced Technology (BECAT) at University of Connecticut are gratefully acknowledged. F.-C.S. thanks J. Skelton, University of Bath, and H. Tran and K. Pitike from the University of Connecticut for helpful discussions. S.K.N. acknowledges technical support from Serge M. Nakhmanson, University of Connecticut, and Waheed A. Adeagbo, Martin Luther University Halle-Wittenberg. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. A.P. gratefully acknowledges funding support from CityU Start-Up Grant for New Faculty (Project No. 7200514). S.P. acknowledges the support from the National Science Foundation (NSF), Centers of Research Excellence in Science and Technology (CREST) program through Grant No. HRD 1547771. Funding Information: This paper was supported by the Air Force Office of Scientific Research (AFOSR) through Grant No. FA9550-14-1-0376. The THz-dielectric research was supported by the Institute of Critical Technology and Applied Sciences (ICTAS) at Virginia Tech. M.G.K. and H.C.S. acknowledge financial support through the US Department of Energy Program (Grant No. DE-FG02-06ER46290). The computational resources from the Taylor L. Booth Engineering Center for Advanced Technology (BECAT) at University of Connecticut are gratefully acknowledged. F.-C.S. thanks J. Skelton, University of Bath, and H. Tran and K. Pitike from the University of Connecticut for helpful discussions. S.K.N. acknowledges technical support from Serge M. Nakhmanson, University of Connecticut, and Waheed A. Adeagbo, Martin Luther University Halle-Wittenberg. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. A.P. gratefully acknowledges funding support from CityU Start-Up Grant for New Faculty (Project No. 7200514). S.P. acknowledges the support from the National Science Foundation (NSF), Centers of Research Excellence in Science and Technology (CREST) program through Grant No. HRD 1547771. Publisher Copyright: {\textcopyright} 2017 American Physical Society.",
year = "2017",
month = oct,
day = "18",
doi = "10.1103/PhysRevB.96.134114",
language = "English (US)",
volume = "96",
journal = "Physical Review B-Condensed Matter",
issn = "2469-9950",
publisher = "American Physical Society",
number = "13",
}