Polaron catastrophe within quantum acoustics
Abstract
The quantum acoustic framework has recently emerged as a nonperturbative, coherent approach to electron–lattice interactions, uncovering rich physics often obscured by perturbative methods with incoherent scattering events. Here, we model the strongly coupled dynamics of electrons and acoustic lattice vibrations within this framework, representing lattice vibrations as coherent states and electrons as quantum wave packets, in a manner distinctively different from tight-binding or discrete hopping-based approaches. We derive and numerically implement electron backaction on the lattice, providing both visual and quantitative insights into electron wave packet evolution and the formation of acoustic polarons. We investigate polaron binding energies across varying material parameters and compute key observables—including mean square displacement, kinetic energy, potential energy, and vibrational energy—over time. Our findings reveal the conditions that favor polaron formation, which is enhanced by low temperatures, high deformation potential constants, slow sound velocities, and high effective masses. Additionally, we explore the impact of external electric and magnetic fields, showing that while polaron formation remains robust under moderate fields, it is weakly suppressed at higher field strengths. These results deepen our understanding of polaron dynamics and pave the way for future studies into nontrivial transport behavior in quantum materials.
Copyright and License
© 2025 the Author(s). Published by PNAS. This article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND).
Acknowledgement
Data Availability
Code has been deposited in gitlab (106).
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Additional details
- Alternative title
- Polaron formation within quantum acoustics
- United States Department of Energy
- DE-SC0025489
- Sabancı Üniversitesi
- F.A.CF.24-02932
- German National Academic Foundation
- Oskar Hattunen Foundation
- -
- Accepted
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2025-04-21
- Available
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2025-06-03Published online
- Caltech groups
- Division of Chemistry and Chemical Engineering (CCE)
- Publication Status
- Published