影响因子：8.6

DOI码：10.1021/acs.chemmater.2c00205

关键字：ENHANCEMENT; FLUORIDE; PROGRAM; IODATE; UV

摘要：Nonlinear optical (NLO) crystals have aroused burgeoning interest in recent years owing to their frequency conversion properties and versatile optoelectronic applications. Nevertheless, a current challenge is to excavate NLO crystals with superior overall performance, especially in configurationally rigid silicates. Herein, a new NLO bismuth silicate, Cs2Bi2OSi2O7 (CBSO), was successfully synthesized, which features a 3D structure containing rare face-sharing [BiO5] pyramids and [SiO4] groups. The introduction of highly polarized Bi3+ cations resulted in large induced polarization and an enhanced second harmonic generation (SHG) intensity of 3.5 KDP. Remarkably, CBSO fully meets the precedent conditions for NLO applications, including a wide transparent window, suitable birefringence (0.044 at 1064 nm), good thermal stability with congruent-melting behavior, and facile crystal growth. Besides, first-principles calculations were performed to elucidate the structure-property relationship of CBSO. These observations demonstrate that CBSO is a promising NLO material and provide new inspiration for designing novel SHG-active compounds in strongly covalent systems.

文献类型：J

卷号：34

期号：7

是否译文：否

发布期刊链接：https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.2c00205