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Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH_3NH_3PbI_3: A Terahertz Time-Domain Spectroscopy Approach

La-o-vorakiat, Chan and Xia, Huanxin and Kadro, Jeannette and Salim, Teddy and Zhao, Daming and Ahmed, Towfiq and Lam, Yeng Ming and Zhu, Jian-Xin and Marcus, Rudolph A. and Michel-Beyerle, Maria-Elisabeth and Chia, Elbert E. M. (2016) Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH_3NH_3PbI_3: A Terahertz Time-Domain Spectroscopy Approach. Journal of Physical Chemistry Letters, 7 (1). pp. 1-6. ISSN 1948-7185 . https://resolver.caltech.edu/CaltechAUTHORS:20160111-111349964

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Abstract

We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH_3NH_3PbI_3 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 cm^2 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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/acs.jpclett.5b02223DOIArticle
http://pubs.acs.org/doi/10.1021/acs.jpclett.5b02223PublisherArticle
ORCID:
AuthorORCID
Zhao, Daming0000-0001-5046-2199
Alternate Title:Phonon Mode Transformation Across the Orthohombic–Tetragonal Phase Transition in a Lead Iodide Perovskite CH3NH3PbI3: A Terahertz Time-Domain Spectroscopy Approach
Additional Information:© 2015 American Chemical Society. Received 6 October 2015; Accepted 3 December 2015; Published online 3 December 2015; Published in print 7 January 2016. We acknowledge useful discussions with Aron Walsh (Department of Chemistry, University of Bath). C.L. acknowledges the support from the Theoretical and Computational Science (TaCS) Center. D.M.Z. acknowledges support from TUM-CREATE. E.E.M.C. acknowledges support from Singapore Ministry of Education AcRF Tier 1 (RG13/12 and RG123/14). R.A.M. thanks the ONR and ARO for their support. M.-E.M.-B. is grateful to the Nanyang Technological University for supporting the Biophysics Center. T.A. and J.-X.Z. acknowledge the support from the LANL LDRD Program. The work was supported in part by the Center for Integrated Nanotechnologies, a U.S. DOE BES user facility.
Funders:
Funding AgencyGrant Number
Theoretical and Computational Science (TaCS) CenterUNSPECIFIED
TUM-CREATEUNSPECIFIED
Ministry of Education (Singapore)RG13/12
Ministry of Education (Singapore)RG123/14
Office of Naval Research (ONR)UNSPECIFIED
Army Research Office (ARO)UNSPECIFIED
Los Alamos National LaboratoryUNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
Issue or Number:1
Record Number:CaltechAUTHORS:20160111-111349964
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160111-111349964
Official Citation: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, and Elbert E. M. Chia The Journal of Physical Chemistry Letters 2016 7 (1), 1-6 DOI: 10.1021/acs.jpclett.5b02223
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:63547
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:13 Jan 2016 00:05
Last Modified:03 Oct 2019 09:29

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