J4 ›› 2011, Vol. 28 ›› Issue (2): 210-217.

• 第二届全国光学青年学术论坛论文选登 • 上一篇    下一篇

Ca3(BO3)2的振动光谱分析

顾桂新1,吕宪顺1,王迪1,万松明1,2,张庆礼1,殷绍唐1,尤静林2   

  1. 1 中国科学院安徽光学精密机械研究所，安徽 合肥 230031；
    2 上海大学上海市现代冶金与材料制备重点实验室，上海 200072
  • 出版日期:2011-03-28 发布日期:2011-03-03
  • 通讯作者: 万松明（1970-），安徽人，博士，研究员，从事新型光学功能晶体材料和高温体系晶体生长机理研究。 E-mail:smwan@aiofm.ac.cn
  • 作者简介:顾桂新（1984-），女，河北，硕士研究生，从事Raman晶体生长理论和实验研究。Email：guixingu1984@hotmail.com
  • 基金资助:

    国家自然科学基金(90922003)、中国科学院功能晶体与激光技术重点实验室开放课题，上海市现代冶金与材料制备重点实验室开放课题（SELF-2009-01）

Vibrational spectrum analysis of Ca3(BO3)2

GU Gui-xin1, LV Xian-shun1, WANG Di1, WAN Song-ming1,2, ZHANG Qing-li1, YIN Shao-tang1, YOU Jing-lin2   

  1. 1 Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei  230031, China; 
    2 Shanghai Key Laboratory of Modern Metallurgy and Materials Processing, Shanghai University, Shanghai 200072, China
  • Published:2011-03-28 Online:2011-03-03

摘要：

分别利用因子群对称分析法和位置群对称分析法对Ca3(BO3)2晶体的振动模式进行了理论分析。Ca3(BO3)2的晶格振动模式分为外振动和内振动模式,外振动模式为:3A1g+4A2g+7Eg+3A1u+3A2u+6Eu,内振动模式为：2A1g+2A2g+4Eg+2A1u+2A2u+4Eu。Ca3(BO3)2晶体在布里渊区中心Γ点晶格振动的对称性分类为：5A1g+6A2g+11Eg+5A1u+6A2u+11Eu，其中声学模为：A2u+Eu，拉曼活性光学模为5A1g+11Eg，红外活性光学模为：5A2u+10Eu，其余为非拉曼、非红外活性光学振动模。用高温固相法成功合成了Ca3(BO3)2粉末，测量了它的室温Raman光谱，并利用群论分析的结果对谱图进行了讨论，指认了BO33-基团的特征振动频率。

关键词: 光谱学, 晶格振动模式, 因子群对称分析法, 位置群对称分析法, Ca3(BO3)2, Raman光谱

Abstract:

Factor group symmetry analysis method and position symmetry analysis method were applied to analyze the lattice vibration of Ca3(BO3)2 crystal. The vibrational modes of Ca3(BO3)2 can be subdivided into external modes (3A1g+4A2g+7Eg+3A1u+3A2u+6Eu) and internal modes (2A1g+2A2g+4Eg+2A1u+2A2u+4Eu). Total vibrational modes are classified as 5A1g+6A2g+11Eg+5A1u+6A2u+11Eu. Among them, the ungerade modes A2u+Eu are acoustic modes, 5A1g+11Eg are IR active, the gerade modes 5A1g+11Eg are Raman active, and the others are neither Raman active nor IR active. Ca3(BO3)2 powder was synthesized by solid state method. Room temperature Raman spectrum of the powder was obtained. The experiment results are discussed, and the characteristic vibrational peaks of the BO33- groups were identified.

Key words: spectroscopy, lattice vibrational modes, factor group symmetry analysis, position symmetry analysis, Ca3(BO3)2, Raman spectrum

中图分类号: 

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