量子电子学报, 2019, 36 (2): 213, 网络出版: 2019-04-03  

Ca3(BO3)2晶体的受激Raman散射活性模式研究

Stimulated Raman scattering active mode of Ca3(BO3)2 crystal
作者单位
1 中国科学院安徽光学精密机械研究所 安徽省光子器件与材料重点实验室, 安徽 合肥 230031
2 中国科学技术大学, 安徽 合肥 230026
3 上海大学省部共建高品质特殊钢冶金与制备国家重点实验室, 上海 200072
摘要
Ca3(BO3)2是一种可应用于紫外波段的新型受激Raman散射(SRS)晶体, 但对其SRS活性模式的研究还未深入开展。采用密度泛函理论(DFT)计算方法研究了Ca3(BO3)2晶体的Raman光谱,对晶体的所有Raman活性振动模式进行了指认, 确认了晶体的SRS活性模式起源于BO3-3基团的全对称伸缩振动。CaCO3和Ca(NO3)2晶体的SRS活性模式也起源于平面三角基团 (CO2-3 和NO-3)的全对称伸缩振动,但它们的强度远大于Ca3(BO3)2。电子云密度分析的结果显示: Ca3(BO3)2、 CaCO3、Ca(NO3)2 三种晶体的SRS活性模式的强度与BO3-3、CO2-3、NO-3 三种基团的电子共轭效应正相关。 DFT 计算研究的结果表明:硼原子的同位素效应不影响Ca3(BO3)2晶体SRS活性模式的线宽。泵浦激光沿晶轴aH或cH传播时晶体的Raman 散射截面大致相等。
Abstract
Ca3(BO3)2 crystal is a new stimulated Raman scattering (SRS) crystal applied in the UV region. However, its SRS-active mode has not been deeply studied. The Raman spectrum of the crystal was investigated by the density functional theory (DFT) calculation. All of the Raman-active modes were assigned, and the SRS-active mode was confirmed to be attributed to the fully symmetric vibration of the BO3-3 group. The SRS-active modes of the CaCO3 and Ca(NO3)2 crystals also arise from the fully symmetric vibrations of planar triangular groups (CO2-3 and NO-3), but their intensities are much higher than that of Ca3(BO3)2. Electron density analyses showed that the intensities of the SRS-active modes of the Ca3(BO3)2, CaCO3 and Ca(NO3)2 crystals are positively correlated with the electronic conjugation effects of the BO3-3, CO2-3, and NO-3 groups. The DFT calculation showed that the isotopic effect of boron is negligible on the line-width of the Ca3(BO3)2 SRS-active mode. When the pump laser propagates along the crystallographic aH or cH axes, the crystal Raman scattering cross sections are almost the same.

姚亚楠, 张树杰, 顾桂新, 万松明. Ca3(BO3)2晶体的受激Raman散射活性模式研究[J]. 量子电子学报, 2019, 36(2): 213. YAO Yanan, ZHANG Shujie, GU Guixin, WAN Songming. Stimulated Raman scattering active mode of Ca3(BO3)2 crystal[J]. Chinese Journal of Quantum Electronics, 2019, 36(2): 213.

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