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BO3-3基团的特征振动频率。

Factor group symmetry analysis method and position symmetry analysis method were applied to analyze the lattice vibration of Ca3 (BO3 )2 crystal. The fundamental lattice 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, 5A2u+10Eu 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 BO3-3 groups were identified.