Theoretical Study On Electronic Structure And Optical Properties Of γ-CuI

Radiation detection technology is now widely used in many fields,and with the development of science and technology,the requirements for detection performance are becoming increasingly higher.Cuprous iodide(CuI)is considered to be one of the inorganic scintillator materials with the fastest time response,which is expected to play an important role in the field of y and X ray detection and imagining in the future.Unfortunately,the CuI scintillator still faces some problems,such as the intensity of the fast component is weak and the spatial resolution needs to be improved.Therefore,it is necessary to carry out research on CuI scintillators.In this paper,we change the electronic structure and optical properties of γ-CuI scintillators by changing the material components and microstructure,and thus regulate the performance of γ-CuI scintillation detection.We investigate the changes of electronic structure and optical properties of y-Cul scintillator under different concentrations of S,Se,Te,B,Cl,Zn single doping;Cl,Zn co-doping in different proportions and the changing of stress.The results show that,except for the B element doped y-Cul,the doping of S,Se,Te,Cl,Zn elements can reduce the band gap,increase the photon yield and change the optical properties,so it can improve the detection of γ-CuI scintillator detector performance.Cl,Zn co-doping will reduce the γ-CuI band gap,and the doping of Cl elements will reduce the red shift caused by Zn doping,and when doping concentration of Cl is larger than Zn,the optical absorption coefficient as well as the reflection coefficient are smaller than the intrinsic γ-CuI;when the compressive stress changes from small to large,the band gap as well as the optical property changes have fluctuations.While applying tensile stress,the band gap and optical property changes have regular,the band gap decreases as the tensile stress becomes larger,and the optical properties become weaker as the tensile stress becomes larger,but both the electronic and the optical properties have very small changes,that is,the stress change has a relatively small impact on the electronic structure and optical properties of γ-CuI scintillator,and when the external environment changes,as long as the change is not too large,the impact on the detection performance of γ-CuI scintillator detector is relatively small.It can be concluded from this paper that elemental doping is a good method to improve the detection performance of γ-CuI scintillator detectors,and the stress variation has less effect on it.The research results can provide a useful reference for the development of CuI scintillator detectors with high detection performance in the future.