Document Type : Research

Author

Associate Professor, Department of Physics, Payame Noor University, Tehran, Iran.

Abstract

In the context of strong field-matter interaction, an increasing number of phenomena have emerged that can be well understood when taking into account the vibrational modes of lattice i.e., phonons. Phonons dynamics as a result of coupling between electronic and lattice degree of freedom has substantial effect on transient features via redistribution of quasiparticle populations and dynamical modification of coupling strength. In this study, we resolve the role of nonlinear phononics in nonlinear optics phenomena such as second harmonic generation and shift current including phonons for series of 2D materials. Our results show strong dynamical modulation of the electron-phonon effect in the dynamical Born effective charge for all individual phonon modes. The presence of activated phonons also enhances the second-order terms of second harmonic generation and shift current. The parameter amplification of light by nonlinear phonons enhance the control over phonon-polariton waves, interesting for information transport on subwavelength length scales.

Keywords

[1] Hübener, H., De Giovannini, U., & Rubio, A. (2018). Phonon driven Floquet matter. Nano letters, 18(2), 1535-1542.
[2] Bertsch, G. (2013, March). Coherent phonon generation in time-dependent density functional theory. In APS March Meeting Abstracts (Vol. 2013, pp. F24-001).
[3] Kazempour, A., Morshedloo, T., & Wang, F. (2021). Transient non-linear optics of diamond under ultrashort excitation pulses. Applied Physics A, 127, 1-10.
[4] Shinohara, Y., Yabana, K., Kawashita, Y., Iwata, J. I., Otobe, T., & Bertsch, G. F. (2010). Coherent phonon generation in time-dependent density functional theory. Physical Review B—Condensed Matter and Materials Physics, 82(15), 155110.
[5] Juraschek, D. M., & Maehrlein, S. F. (2018). Sum-frequency ionic Raman scattering. Physical Review B, 97(17), 174302.
[6] Maehrlein, S., Paarmann, A., Wolf, M., & Kampfrath, T. (2017). Terahertz sum-frequency excitation of a Raman-active phonon. Physical review letters, 119(12), 127402.
[7] Andrade, X., Strubbe, D., De Giovannini, U., Larsen, A. H., Oliveira, M. J., Alberdi-Rodriguez, J., ... & Rubio, A. (2015). Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems. Physical Chemistry Chemical Physics, 17(47), 31371-31396.
[8] Tancogne-Dejean, N., Oliveira, M. J., Andrade, X., Appel, H., Borca, C. H., Le Breton, G., ... & Rubio, A. (2020). Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of chemical physics, 152(12).
[9] Ginsberg, Jared S., et al. "Phonon-enhanced nonlinearities in hexagonal boron nitride." Nature Communications 14.1 (2023): 7685.
[10] Cartella, A., Nova, T. F., Fechner, M., Merlin, R., & Cavalleri, A. (2018). Parametric amplification of optical phonons. Proceedings of the National Academy of Sciences, 115(48), 12148-12151.
[11] Juraschek, D. M., & Narang, P. (2021). Highly confined phonon polaritons in monolayers of perovskite oxides. Nano Letters, 21(12), 5098-5104
[12] De La Torre, A., Kennes, D. M., Claassen, M., Gerber, S., McIver, J. W., & Sentef, M. A. (2021). Colloquium: Nonthermal pathways to ultrafast control in quantum materials. Reviews of Modern Physics, 93(4), 041002.
[13] Stefanucci, G., van Leeuwen, R., & Perfetto, E. (2023). In and out-of-equilibrium ab initio theory of electrons and phonons. Physical Review X, 13(3), 031026.
[14] Wang, C. Y., Sharma, S., Gross, E. K. U., & Dewhurst, J. K. (2022). Dynamical Born effective charges. Physical Review B, 106(18), L180303.