Importance of Non-Adiabatic Effects on Kohn Anomalies in 1D metals
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866917155722756096 |
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| author | Marazzi, Enrico Poncé, Samuel Charlier, Jean-Christophe Rignanese, Gian-Marco |
| author_facet | Marazzi, Enrico Poncé, Samuel Charlier, Jean-Christophe Rignanese, Gian-Marco |
| contents | Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of non-adiabatic phonon self-energy on Kohn anomalies in one-dimensional metals by developing a model that analyzes how the adiabatic phonon frequency, electron effective mass, and electron-phonon coupling strength influence phonon mode renormalization. We introduce an electron-phonon coupling strength threshold for low-temperature system instability, providing experimentalists with a tool to predict them. Finally, we validate the predictions of our model against first-principles calculations on a 4 Å-diameter carbon nanotube. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_18704 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Importance of Non-Adiabatic Effects on Kohn Anomalies in 1D metals Marazzi, Enrico Poncé, Samuel Charlier, Jean-Christophe Rignanese, Gian-Marco Materials Science Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of non-adiabatic phonon self-energy on Kohn anomalies in one-dimensional metals by developing a model that analyzes how the adiabatic phonon frequency, electron effective mass, and electron-phonon coupling strength influence phonon mode renormalization. We introduce an electron-phonon coupling strength threshold for low-temperature system instability, providing experimentalists with a tool to predict them. Finally, we validate the predictions of our model against first-principles calculations on a 4 Å-diameter carbon nanotube. |
| title | Importance of Non-Adiabatic Effects on Kohn Anomalies in 1D metals |
| topic | Materials Science |
| url | https://arxiv.org/abs/2506.18704 |