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Based on the Einstein oscillator model and the Urbach rule, we study the electron-phonon interaction and the band-edge structure of LiNbO 3 :Mg. We report on the concentration threshold behavior of the Einstein oscillator, the electron-phonon interaction, the band-edge absorption, and the light-induced small hole polarons O − in LiNbO 3 :Mg crystals with increasing Mg-doping concentration. The result gives a fundamental microscopic mechanism of the concentration threshold behavior related to the band-edge optical properties and the lightinduced charge transport of LiNbO 3 :Mg crystals, and is helpful to optimize LiNbO 3 for applications such as nonlinear optics.

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