The Disorder Origin of Raman Scattering In Perovskites Single Crystals
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arXiv
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| Autori principali: | , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2022
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| _version_ | 1866929258714103808 |
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| author | Menahem, Matan Benshalom, Nimrod Asher, Maor Aharon, Sigalit Korobko, Roman Safran, Sam Hellman, Olle Yaffe, Omer |
| author_facet | Menahem, Matan Benshalom, Nimrod Asher, Maor Aharon, Sigalit Korobko, Roman Safran, Sam Hellman, Olle Yaffe, Omer |
| contents | The anharmonic lattice dynamics of oxide and halide perovskites play a crucial role in their mechanical and optical properties. Raman spectroscopy is one of the key methods used to study these structural dynamics. However, despite decades of research, existing interpretations cannot explain the temperature dependence of the observed Raman spectra. We demonstrate the non-monotonic evolution with temperature of the scattering intensity and present a model for 2nd-order Raman scattering that accounts for this unique trend. By invoking a low-frequency anharmonic feature, we are able to reproduce the Raman spectral line-shapes and integrated intensity temperature dependence. Numerical simulations support our interpretation of this low-frequency mode as a transition between two minima of a double-well potential surface. The model can be applied to other dynamically disordered crystal phases, providing a better understanding of the structural dynamics, leading to favorable electronic, optical, and mechanical properties in functional materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2208_05563 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | The Disorder Origin of Raman Scattering In Perovskites Single Crystals Menahem, Matan Benshalom, Nimrod Asher, Maor Aharon, Sigalit Korobko, Roman Safran, Sam Hellman, Olle Yaffe, Omer Materials Science The anharmonic lattice dynamics of oxide and halide perovskites play a crucial role in their mechanical and optical properties. Raman spectroscopy is one of the key methods used to study these structural dynamics. However, despite decades of research, existing interpretations cannot explain the temperature dependence of the observed Raman spectra. We demonstrate the non-monotonic evolution with temperature of the scattering intensity and present a model for 2nd-order Raman scattering that accounts for this unique trend. By invoking a low-frequency anharmonic feature, we are able to reproduce the Raman spectral line-shapes and integrated intensity temperature dependence. Numerical simulations support our interpretation of this low-frequency mode as a transition between two minima of a double-well potential surface. The model can be applied to other dynamically disordered crystal phases, providing a better understanding of the structural dynamics, leading to favorable electronic, optical, and mechanical properties in functional materials. |
| title | The Disorder Origin of Raman Scattering In Perovskites Single Crystals |
| topic | Materials Science |
| url | https://arxiv.org/abs/2208.05563 |