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LiLa(MoO4)2, and Nd:LiLa(MoO4)2 crystals were grown by a spontaneous nucleation method. The crystals obtained were characterized by X-ray powder diffraction, derivative differential thermal analysis, Fourier transform infrared spectroscopy, UV–visible diffuse reflectance spectroscopy, and fluorescence spectroscopy, respectively. The electronic structure of LiLa(MoO4)2 was calculated based on the density functional theory, indicating that it has a direct band gap of 2.57 e V. Theoretically, the band structure and density of states reveal that the optical properties of LiL a(MoO4)2 are mainly determined by the Mo 4d orbital.
LiLa (MoO4) 2, and Nd: LiLa (MoO4) 2 crystals were grown by a spontaneous nucleation method. The crystals were obtained by X-ray powder diffraction, derivative differential thermal analysis, Fourier transform infrared spectroscopy, spectroscopy, and fluorescence spectroscopy, respectively. The electronic structure of LiLa (MoO4) 2 was calculated based on the density functional theory, indicating that it has a direct band gap of 2.57 e V. Theoretically, the band structure and density of states reveal that the optical properties of LiLa (MoO4) 2 are mainly determined by the Mo 4d orbital.