First-principles study on AgBi(CrO4)2:An effective infrared nonlinear optical compound

The study of nonlinear optical (NLO) materials is critical for the evolution of laser technology. AgBi(CrO4)2 crystallizes in the tetragonal lattice with a space group of I 4¯ is a potential candidate for the infrared (IR) region due to its high birefringence (Δn = 0.18@1064 nm), better NLO response than the KDP crystal, and relatively high electro-optical coefficients. The elastic constant of AgBi(CrO4)2 is ductile, and the high piezoelectric coefficients make this crystal attractive as a bifunctional material.