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arXiv · 2409.07992

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation

Dipti Jasrasaria·Arkajit Mandal·David R. Reichman·Timothy C. Berkelbach
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Abstract

In this work we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations beyond the long-wavelength limit. We introduce a conceptually simple description of light-matter interactions, where spatially localized cavity radiation modes couple to localized vibrations. Within this theoretical framework, we employ self-consistent phonon theory and vibrational dynamical mean-field theory to efficiently simulate momentum-resolved vibrational-polariton spectra, including effects of anharmonicity. Numerical simulations in model systems demonstrate the accuracy and applicability of our approach.

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Dipti Jasrasaria, Arkajit Mandal, David R. Reichman, Timothy C. Berkelbach. 2024-09-12. Simulating anharmonic vibrational polaritons beyond the long wavelength approximation. https://arxiv.org/abs/2409.07992

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