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Raman spectrum of the organic–inorganic halide perovskite CH3NH3PbI3 from first principles and high-resolution low-temperature raman measurements

Abstract:

We investigate the Raman spectrum of the low-temperature orthorhombic phase of the organic-inorganic halide perovskite CH3NH3PbI3, by combining first-principles calculations with high-resolution low-temperature Raman measurements. We find good agreement between theory and experiment and successfully assign each of the Raman peaks to the underlying vibrational modes. In the low-frequency spectral range (below 60 cm-1), we assign the prominent Raman signals at 26, 32, 42, and 49 cm-1to the Pb-I...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jpcc.8b04669

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Institution:
University of Oxford
Division:
MPLS Division
Department:
Materials
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Condensed Matter Physics
Oxford college:
Nuffield College
Role:
Author
ORCID:
0000-0001-9621-334X
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Grant:
785219 - GrapheneCore2
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry C Journal website
Volume:
122
Issue:
38
Pages:
21703–21717
Publication date:
2018-09-05
DOI:
EISSN:
1932-7455
ISSN:
1932-7447
Source identifiers:
922113
Pubs id:
pubs:922113
UUID:
uuid:dc30feeb-313f-4b3a-bf65-f05e7e7502f7
Local pid:
pubs:922113
Deposit date:
2018-10-15

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