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Abstract
We report a comprehensive Raman study of the phonon behavior in PdSe2 in the temperature range of 5 K to 300 K. A remarkable change in the Raman spectrum is observed at 120 K: a significant enhancement of the out-of-plane phonon A1g mode, accompanied by a suppression of the in-plane A2g and B21g modes. This intriguing behavior is attributed to a temperature-dependent resonant excitation effect. The results are supported by density functional theory (DFT) calculations, which demonstrate that the electron-phonon coupling for the phonon modes varies and is strongly associated with the relevant electronic states. Furthermore, nonlinear frequency shifts are identified in all modes, indicating the decay of an optical phonon into multiple acoustic phonons. The study of Raman emission reported here, complemented by linear optical spectroscopy, reveals an unexpected scenario for the vibrational properties of PdSe2 that holds substantial promise for future applications in PdSe2-based optoelectronics.
Original language | English |
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Pages (from-to) | 11402-11411 |
Number of pages | 10 |
Journal | Journal of Materials Chemistry C |
Volume | 12 |
Issue number | 30 |
Early online date | 24 Jun 2024 |
DOIs | |
Publication status | Published - 14 Aug 2024 |
Data Availability Statement
The experimental data are accessible through: https://doi.org/10.5281/zenodo.10424154. Inputs to the computational codes are available free of charge at https://doi.org/10.15125/BATH-01356.Funding
The authors acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) through project German Research Foundation via project No. 277146847 \u2013 CRC 1238: Control and Dynamics of quantum Materials. Computational work was performed on the University of Bath's High Performance Computing Facility and was supported by the EU Horizon 2020 OCRE/GEANT project \u201CCloud funding for research\u201D. We acknowledge the financial support from the Italian Ministry of University and Research (Grant No. PRIN 2017BZPKSZ).
Funders | Funder number |
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GEANT | |
Deutsche Forschungsgemeinschaft | |
EU Horizon 2020 OCRE | |
Deutsche Forschungsgemeinschaft (DFG) | 277146847 – CRC 1238 |
Ministero dell’Istruzione, dell’Università e della Ricerca | PRIN 2017BZPKSZ |
Ministero dell’Istruzione, dell’Università e della Ricerca |
ASJC Scopus subject areas
- General Chemistry
- Materials Chemistry
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