2022
DOI: 10.1002/pssb.202200453
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Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons

Abstract: The third‐order susceptibility of lithium niobate (LiNbO3) is calculated within a Berry‐phase formulation of the dynamical polarization based on the electronic structure obtained within density‐functional theory (DFT). Maximum values of the order of  m V are calculated for photon energies between 1.2 and 2 eV, i.e., in the lower half of the optical bandgap of lithium niobate. Both free and bound electron (bi)polarons are found to lead to a remarkable enhancement of the third‐order susceptibility for photon e… Show more

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Cited by 5 publications
(1 citation statement)
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“…According to waveguide analysis 38 , effective linear refractive 𝑛 0 is 2.99 at 0.63 THz. Accordingly, the nonlinear susceptibility is calculated to be larger than 1.57 × 10 −15 m 2 ⋅ V −2 at 0.63 THz, which represents a value over 4 orders of magnitude larger than that for visible light in LN 43 . Notably, in our experiment, THz waves are optimized to be z polarized, thus this result means Re(𝜒 𝑧𝑧𝑧𝑧 (3) ) > 1.57 × 10 −15 m 2 ⋅ V −2 , which also shows a nonlinear refractive index of 𝑛 2 > 9.94 × 10 −14 m 2 ⋅ W −1 .…”
Section: Resultsmentioning
confidence: 85%
“…According to waveguide analysis 38 , effective linear refractive 𝑛 0 is 2.99 at 0.63 THz. Accordingly, the nonlinear susceptibility is calculated to be larger than 1.57 × 10 −15 m 2 ⋅ V −2 at 0.63 THz, which represents a value over 4 orders of magnitude larger than that for visible light in LN 43 . Notably, in our experiment, THz waves are optimized to be z polarized, thus this result means Re(𝜒 𝑧𝑧𝑧𝑧 (3) ) > 1.57 × 10 −15 m 2 ⋅ V −2 , which also shows a nonlinear refractive index of 𝑛 2 > 9.94 × 10 −14 m 2 ⋅ W −1 .…”
Section: Resultsmentioning
confidence: 85%