Abstract
CuGaxIn1-xSe2 (x = 0.54, CGISe) has been obtained by a high temperature solid-state method. It crystallizes in the typical chalcopyrite structure. CGISe exhibits a second-harmonic generation intensity about 0.5 times that of AgGaS2 in the particle size range 75–100 μm. It's band structure, density of state, and optical properties are studied by theoretical calculations. The nonlinear optical properties of CGISe and several related chalcopyrite-type chalcogenides are discussed based on optical property and dipole moment calculations.
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