Firs Tprinciple Calculation Of The Structure And Optical Damage Resistance Ability Of Zirconium Doped Lithium Niobate

Optical volume holographic storage, with its large storage capacity, reading and writing speed and other advantages become a leader in the emerging memory technologies. Lithium niobate crystal is the key materials currently in volume holographic storage technology, however light damage produced by lithium niobate crystal in holographic grating recording process has restricted its further application in the holographic field, doping optical damage resistance element is an effective way to improve the resistance ability of optical damage of lithium niobate, Magnesium is a representative doping element, zirconium is doped elements in recent years with excellent performance. In this paper, using first-principles density functional calculation method, provides the theoretical basis for the optimization design of optical damage resistance element doping.First of all, using the MS software to established the microstructure model of pure lithium niobate crystals, after the geometry optimization.The electronic structure and optical properties of the crystal were calculated, the electrical structure of settlement showed that the crystal results show that crystal to visible light has good transmittance, crystal dielectric function, energy loss spectrum, absorption spectrum correlation obviously, and with the band gap between the electronic transition.Secondly, establishing the structure model of Mg-doped lithium niobate crystals and was calculated using the known parameters, analysis shows that there are some differences between optical properties of two kinds of crystals, and optical Mg-doped lithium niobate crystals rate increased, showed that Mg-doped lithium niobate crystal optical damage resistance performance.Finally, the theoretical calculation after the discovery of electrical structure, optical properties of the electrical structure of zirconium doped lithium niobate crystal and pure lithium niobate crystals vary greatly, zirconium doped lithium niobate crystal optical efficiency is greatly enhanced. In the analysis of zirconium doped lithium niobate, Mg-doped lithium niobate and pure lithium niobate crystal optical and electron concentration, found that zirconium doped lithium niobate crystal optical damage resistance ability of the best.