Origin of phonon decoherence
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866912217432064000 |
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| author | Pan, Yiming Emeis, Christoph Jauernik, Stephan Bauer, Michael Caruso, Fabio |
| author_facet | Pan, Yiming Emeis, Christoph Jauernik, Stephan Bauer, Michael Caruso, Fabio |
| contents | Phonon decoherence determines the characteristic timescales over which coherent lattice vibrations decay, making it a crucial process for understanding the non-equilibrium dynamics of crystal lattices after excitation by a pump pulse. Here, we report a theoretical and computational investigation of the origin of phonon decoherence within a first-principles many-body framework. We derive quantum kinetic equations for the dynamics of coherent phonons by explicitly accounting for dissipation processes induced by electron-phonon and phonon-phonon interactions. The decoherence rate and frequency renormalization are formulated in terms of the non-equilibrium phonon self energy, providing a framework amenable for ab initio calculations. To validate this approach, we conduct a first-principles study of phonon decoherence for the elemental semimetals antimony and bismuth. The robust agreement with available temperature- and fluence-dependent experimental data confirms the accuracy of our theoretical and computational framework. More generally, our findings reveal that either electron-phonon and phonon-phonon coupling can prevail in determining the decoherence time, depending on the temperature and driving conditions. Overall, this work fills a critical gap in the theoretical understanding of phonon decoherence, providing a predictive framework for determining the timescales of light-induced structural dynamics in driven solids. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2502_01529 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Origin of phonon decoherence Pan, Yiming Emeis, Christoph Jauernik, Stephan Bauer, Michael Caruso, Fabio Strongly Correlated Electrons Materials Science Phonon decoherence determines the characteristic timescales over which coherent lattice vibrations decay, making it a crucial process for understanding the non-equilibrium dynamics of crystal lattices after excitation by a pump pulse. Here, we report a theoretical and computational investigation of the origin of phonon decoherence within a first-principles many-body framework. We derive quantum kinetic equations for the dynamics of coherent phonons by explicitly accounting for dissipation processes induced by electron-phonon and phonon-phonon interactions. The decoherence rate and frequency renormalization are formulated in terms of the non-equilibrium phonon self energy, providing a framework amenable for ab initio calculations. To validate this approach, we conduct a first-principles study of phonon decoherence for the elemental semimetals antimony and bismuth. The robust agreement with available temperature- and fluence-dependent experimental data confirms the accuracy of our theoretical and computational framework. More generally, our findings reveal that either electron-phonon and phonon-phonon coupling can prevail in determining the decoherence time, depending on the temperature and driving conditions. Overall, this work fills a critical gap in the theoretical understanding of phonon decoherence, providing a predictive framework for determining the timescales of light-induced structural dynamics in driven solids. |
| title | Origin of phonon decoherence |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2502.01529 |