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@article{Martin:2023:10.1103/PhysRevB.107.115203,
author = {Martin, BAA and Frost, JM},
doi = {10.1103/PhysRevB.107.115203},
journal = {Physical Review B},
title = {Multiple phonon modes in Feynman path-integral variational polaron mobility},
url = {http://dx.doi.org/10.1103/PhysRevB.107.115203},
volume = {107},
year = {2023}
}

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TY  - JOUR
AB  - The Feynman path-integral variational approach to the polaron problem, along with the associated Feynman-Hellwarth-Iddings-Platzman (FHIP) linear-response mobility theory, provides a computationally amenable method to predict the frequency-resolved temperature-dependent charge-carrier mobility, and other experimental observables in polar semiconductors. We show that the FHIP mobility theory predicts non-Drude transport behavior, and shows remarkably good agreement with the recent diagrammatic Monte Carlo mobility simulations of Mishchenko et al. [Phys. Rev. Lett. 123, 076601 (2019)10.1103/PhysRevLett.123.076601] for the abstract Fröhlich Hamiltonian. We extend this method to multiple phonon modes in the Fröhlich model action. This enables a slightly better variational solution, as inferred from the resulting energy. We carry forward this extra complexity into the mobility theory, which shows a richer structure in the frequency and temperature-dependent mobility, due to the different phonon modes activating at different energies. The method provides a computationally efficient and fully quantitative method of predicting polaron mobility and response in real materials.
AU  - Martin,BAA
AU  - Frost,JM
DO  - 10.1103/PhysRevB.107.115203
PY  - 2023///
SN  - 2469-9950
TI  - Multiple phonon modes in Feynman path-integral variational polaron mobility
T2  - Physical Review B
UR  - http://dx.doi.org/10.1103/PhysRevB.107.115203
VL  - 107
ER  -

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Dr Jarvist Moore Frost

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