Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH3NH3PbI3: A Terahertz Time-Domain Spectroscopy Approach

Chan La-O-Vorakiat; Huanxin Xia; Jeannette Kadro; Teddy Salim; Daming Zhao; Towfiq Ahmed; Yeng Ming Lam; Jian Xin Zhu; Rudolph A. Marcus; Maria Elisabeth Michel-Beyerle; Elbert E.M. Chia

doi:10.1021/acs.jpclett.5b02223

Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH₃NH₃PbI₃: A Terahertz Time-Domain Spectroscopy Approach

Chan La-O-Vorakiat^*, Huanxin Xia, Jeannette Kadro, Teddy Salim, Daming Zhao, Towfiq Ahmed, Yeng Ming Lam, Jian Xin Zhu, Rudolph A. Marcus, Maria Elisabeth Michel-Beyerle, Elbert E.M. Chia

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

113 Citations (Scopus)

Abstract

We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH₃NH₃PbI₃ thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. The carrier mobility values calculated from the low-temperature phonon mode frequencies, via two theoretical approaches, are found to agree reasonably with the experimental value (2000 cm² V^-1 s^-1) from a previous time-resolved THz spectroscopy work. Thus, we have established a possible link between terahertz phonon modes and the transport properties of perovskite-based solar cells.

Original language	English
Pages (from-to)	1-6
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	7
Issue number	1
DOIs	https://doi.org/10.1021/acs.jpclett.5b02223
Publication status	Published - Jan 7 2016
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

ASJC Scopus Subject Areas

General Materials Science
Physical and Theoretical Chemistry

Keywords

perovskite
phonon
solar cells
structural phase transition
terahertz time-domain spectroscopy
vibrational spectroscopy

Access to Document

10.1021/acs.jpclett.5b02223

Cite this

La-O-Vorakiat, C., Xia, H., Kadro, J., Salim, T., Zhao, D., Ahmed, T., Lam, Y. M., Zhu, J. X., Marcus, R. A., Michel-Beyerle, M. E., & Chia, E. E. M. (2016). Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH₃NH₃PbI₃: A Terahertz Time-Domain Spectroscopy Approach. Journal of Physical Chemistry Letters, 7(1), 1-6. https://doi.org/10.1021/acs.jpclett.5b02223

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abstract = "We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. The carrier mobility values calculated from the low-temperature phonon mode frequencies, via two theoretical approaches, are found to agree reasonably with the experimental value (2000 cm2 V-1 s-1) from a previous time-resolved THz spectroscopy work. Thus, we have established a possible link between terahertz phonon modes and the transport properties of perovskite-based solar cells.",

keywords = "perovskite, phonon, solar cells, structural phase transition, terahertz time-domain spectroscopy, vibrational spectroscopy",

author = "Chan La-O-Vorakiat and Huanxin Xia and Jeannette Kadro and Teddy Salim and Daming Zhao and Towfiq Ahmed and Lam, {Yeng Ming} and Zhu, {Jian Xin} and Marcus, {Rudolph A.} and Michel-Beyerle, {Maria Elisabeth} and Chia, {Elbert E.M.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2016",

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doi = "10.1021/acs.jpclett.5b02223",

language = "English",

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La-O-Vorakiat, C, Xia, H, Kadro, J, Salim, T, Zhao, D, Ahmed, T, Lam, YM, Zhu, JX, Marcus, RA, Michel-Beyerle, ME & Chia, EEM 2016, 'Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH₃NH₃PbI₃: A Terahertz Time-Domain Spectroscopy Approach', Journal of Physical Chemistry Letters, vol. 7, no. 1, pp. 1-6. https://doi.org/10.1021/acs.jpclett.5b02223

Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH₃NH₃PbI₃: A Terahertz Time-Domain Spectroscopy Approach. / La-O-Vorakiat, Chan; Xia, Huanxin; Kadro, Jeannette et al.
In: Journal of Physical Chemistry Letters, Vol. 7, No. 1, 07.01.2016, p. 1-6.

Research output: Contribution to journal › Article › peer-review

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AU - Xia, Huanxin

AU - Kadro, Jeannette

AU - Salim, Teddy

AU - Zhao, Daming

AU - Ahmed, Towfiq

AU - Lam, Yeng Ming

AU - Zhu, Jian Xin

AU - Marcus, Rudolph A.

AU - Michel-Beyerle, Maria Elisabeth

AU - Chia, Elbert E.M.

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N2 - We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. The carrier mobility values calculated from the low-temperature phonon mode frequencies, via two theoretical approaches, are found to agree reasonably with the experimental value (2000 cm2 V-1 s-1) from a previous time-resolved THz spectroscopy work. Thus, we have established a possible link between terahertz phonon modes and the transport properties of perovskite-based solar cells.

AB - We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. The carrier mobility values calculated from the low-temperature phonon mode frequencies, via two theoretical approaches, are found to agree reasonably with the experimental value (2000 cm2 V-1 s-1) from a previous time-resolved THz spectroscopy work. Thus, we have established a possible link between terahertz phonon modes and the transport properties of perovskite-based solar cells.

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KW - terahertz time-domain spectroscopy

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