期刊
CHEMISTRY OF MATERIALS
卷 34, 期 7, 页码 3365-3372出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.chemmater.2c00205
关键词
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资金
- National Key R&D Program of China [2021YFA0717800]
- National Natural Science Foundation of China [52002273, 52002220, 62104124, 51972229, 51890865]
- National Natural Science Foundation of Tianjin [19JCYBJC17800]
In recent years, nonlinear optical (NLO) crystals have attracted considerable interest due to their frequency conversion properties and versatile optoelectronic applications. This study successfully synthesized a new NLO bismuth silicate crystal, Cs2Bi2OSi2O7 (CBSO), which exhibits superior overall performance and meets the precedent conditions for NLO applications. Furthermore, first-principles calculations were conducted to elucidate the structure-property relationship of CBSO. These findings provide important insights for designing novel second harmonic generation (SHG) active compounds in strongly covalent systems.
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.
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