Theoretical Study Photoelectric Properties Of Wide-gap Semiconductor Materials CdM₂X₄?M=Ga,Al X=S,Se?

With the development of science and technology,the material has been considered to be today's emerging new technology revolution,one of the important pillar of electronic materials is striking,greatly promoted the development of modern science and technology.Semiconductor materials,as the representative of electronic materials,its advent and development unceasingly to promote the all-round development of human in all fields,brought a lot of convenience to People's Daily life.The variety of the semiconductor,ternary compound semiconductor A^?B₂^?C₄^?material,since it has pervious to light band width,high luminous performance is good,the intensity of optical and photographic fine features,such as good performance in electro-optic devices,optoelectronic devices,solar cells,and has been widely used in such aspects as nonlinear optical devices and has attracted widespread attention.This article will use the first principles calculation method based on density functional theory of ternary semiconductors CdM₂X₄?M=Ga,Al X=S,Se?for comparative study of the system.We provide theoretical basis for the practical application of this materials,by analyzing the different crystal lattice structure,band,the density of the state and trend of the optical properties and predicting the optical properties of anisotropic theory.Research results show that the ternary semiconductors CdM₂X₄?M=Ga,Al X=S,Se?four properties of the material is similar,chalcopyrite structure has defects,for direct band gap semiconductors.Four ternary band gap of semiconductor materials with element X from the sulfur?S?to the selenium?Se?key to gradually decrease,from sulfur?S?to the selenium?Se?,features,weakening the material of the bulk modulus decreases,and the lattice constant increases,while the static dielectric constants and refractive index,index of refraction wave have red shift phenomenon at the same time.Optical properties of energy in the middle area?4 eV 10 eV?showed obvious anisotropy,in less than 4e V low-energy area and higher than the high energy region of 10 e V is not obvious.CdM₂X₄?M=Ga,Al X=S,Se?crystal has good pervious to light quality in infrared region.We also found that CdM₂X₄?M=Ga,Al;X=S,Se?strongest peaks and absorption peaks of crystals are still in the ultraviolet region,so they can be used to make UV blockers or UV detection device.