Shedding Light on the Structure and Characterization of K2ZnGe2O6: A Phase-Matchable Nonlinear Optical Crystal

Nonlinear optical (NLO) materials have recently aroused great interest owing to their capability of frequency conversion in solid-state lasers. Herein, we report an acentric zinc germanate K2ZnGe2O6 obtained successfully through spontaneous crystallization methods. It affords a novel three-dimensional (3D) framework comprised of [GeO4] and [ZnO4] motifs with K atoms located in the tunnels. K2ZnGe2O6 displays a moderate second-harmonic-generation (SHG) intensity (0.73 x KDP) with phase-matchable behavior. Optical characterization demonstrated that it has a UV cutoff edge located at 368 nm with a large energy band of 3.23 eV, accompanied by a wide transmission window, covering a 3-5 mu m atmospheric window. Moreover, thermal properties implied that it possesses intriguing thermal stability of 987 degrees C and a congruent melting nature. Additionally, first-principles calculations unveiled that the NLO performance was primarily attributed to the collective effect of [GeO4] and [ZnO4] building units. These findings indicate that K2ZnGe2O6 is a potential NLO crystal.

Automated summary

In this study, an acentric zinc germanate K2ZnGe2O6 crystal with moderate second-harmonic-generation intensity and phase-matchable behavior was successfully synthesized through spontaneous crystallization methods. It exhibits a UV cutoff edge, large energy band, and wide transmission window, covering a 3-5 μm atmospheric window. The crystal also shows thermal stability and congruent melting nature.