Zn3V2O8 phosphors were synthesized by combustion with (NH4VO3), C6H8O7 • H2O and Zn(NO3)2 as raw materials. The crystal structure and optical properties of the films were characterized by X-ray diffraction (XRD) and emission spectra. And based on the first-principles of density functional theory (DFT) The α-Zn3V2O8 crystal model was established under zero pressure, and the dielectric and optical properties of the model were calculated. The experimental results show that the crystal structure of Zn3V2O8 has no effect on the crystal structure of Zn3V2O8. The emission intensity of the sample at 600℃ is the weakest, the light intensity of the sample is the strongest at 700℃, and the optical properties is changed with calcination temperature changed of Zn3V2O8. The excitation spectrum of the phosphor is between 300nm and 420nm and the peak at 360nm, The emission spectrum of the range between 420-690nm, the peak at 550nm. The absorption coefficient of α-Zn3V2O8 appears at 5.44 eV, the reflection peak is at 6.28 eV.