| Autor: |
Masae Takahashi, Hiroshi Matsui, Eunsang Kwon, Yuka Ikemoto |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
|
| Zdroj: |
Chemical Physics Impact, Vol 8, Iss , Pp 100442- (2024) |
| Druh dokumentu: |
article |
| ISSN: |
2667-0224 |
| DOI: |
10.1016/j.chphi.2023.100442 |
| Popis: |
Electron–phonon (e–p) polar-coupling interactions in C12H17ClN4OS·HCl·H2O crystals exhibiting an upward frequency shift with increasing temperature are investigated using terahertz and far-infrared spectroscopies, and the structural condition required for effective e–p polar-coupling interactions in crystals are uncovered. X-ray crystallography and first-principles calculations reveal that the key structure for the e−p polar-coupling interaction is an open cavity near the considered vibration. Based on the temperature-dependent frequency shift proportional to the Bose−Einstein statistical factor, the interaction strength and characteristic frequency of phonons interacting with electrons are determined at 5.3 × 10–3 cm–1 K–1 and 76.6 cm–1, respectively. From the phonon dispersion curves exhibiting LO (longitudinal optical)–TO (transverse optical) splitting, we find that the highest frequency LO phonon participates in the polar-coupling interaction. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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