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- W3204143322 abstract "We perform the many-body Bethe-Salpeter equation eigenstates based sum-over-states calculations for the linear and nonlinear optical properties of solid C 60 fullerene. Excitonic and local field effects are included in the calculations. We calculate the one-photon absorption (OPA), third harmonic generation (THG), degenerate four-wave mixing (DFWM), and electric-field-induced second harmonic generation (ESHG) spectra of solid C 60 fullerene. The overall agreement between the theoretical and experimental results is good for all calculated spectra. The OPA spectrum shows that the solid C 60 fullerene has a large excitonic binding energy of 0.35 eV. The position and intensity of spectral peaks are modified significantly. By tracing the sum-over-states progress, we determine the type of nonlinear polarization resonances for the characteristic peaks of the THG process, which may clear up a discrepancy in two experimental results. The calculated DFWM spectrum is in excellent agreement with the available experimental results in terms of line shape and peak positions, and thus the two-photon absorption peaks can be well understood on the basis of the excitonic states of solid C 60 fullerene. The dynamic ESHG spectrum is given as a reference for the future experiment." @default.
- W3204143322 created "2021-10-11" @default.
- W3204143322 creator A5043520353 @default.
- W3204143322 date "2021-01-01" @default.
- W3204143322 modified "2023-09-26" @default.
- W3204143322 title "Excitonic Effects on the Linear and Nonlinear Optical Properties of Solid C60 Fullerene, Insights from Many-Body First-Principles Calculations" @default.
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- W3204143322 doi "https://doi.org/10.2139/ssrn.3931615" @default.
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