Sr3TaGa3Si2O14(STGS)单晶的晶格振动

根据空间群理论,预测了Sr3TaGa3Si2O14(STGS)单晶的振动模式,并分别计算了非极性和极性振动模式的Raman散射强度。测量了STGS晶体的Raman光谱,并对其振动模式进行了指认。实验结果表明STGS晶体具有6个A1对称类特征振动模式:波数为126cm-1的振动峰可指认为SiO4团簇、Sr原子和TaO6团簇间的相对平动;245cm-1的振动峰是SiO4团簇的扭曲振动和Sr—TaO6—Sr伸缩振动耦合的结果;特征峰557和604cm-1分别来源于O—Ta—O和O—Ga—O的伸缩振动;896cm-1谱带对应着两个SiO4四面体的O—Si—O伸缩振动;991cm-1的谱带对应着两个SiO4四面体的Si—O伸缩振动。实验结果和理论计算结果均确证了STGS晶体的层状结构,其弱的各项异性和压电模量归因于十面体结构单元的微弱形变。

Lattice Vibration of Sr3TaGa3 Si2 O14 Single Crystal

Based on the space group theory, the normal vibration modes of Sr3 TaGa3Si2O14 (STGS) single crystal were predicted, and the Raman scattering intensities of non-polar and polar modes were calculated. The Raman spectrum of STGS crystal was measured, and lattice vibration modes of STGS crystal were assigned. For symmetry species A1, six typical Raman-active optical modes have been recorded at 126, 245, 557, 604, 896 and 991 cm(-1), respectively. It is easy to assign the mode of 126 cm(-1) as the relative translation between SiO4, Sr and the TaO6. The mode 245 cm(-1) corresponds to the twisting vibration of SiO4 correlating with the Sr-TaO6-Sr stretching vibration. The mode 557 cm(-1) was assigned as the O-Ta-O stretching vibration, while the mode 604 cm(-1) as the O-Ga-O stretching vibration. The band at 896 cm(-1) in the Raman spectrum was assigned to be the O-Si-O stretching vibration of the two SiO4 tetrahedra in the primitive cell of STGS single crystal. Meanwhile, the band at 991 cm(-1) in the Raman spectrum was assigned to be the Si-O stretching vibration of the two SiO4 tetrahedra in the primitive cell of STGS single crystal. The layer structure of STGS crystal was identified by both theory study and Raman spectroscopy experiment results. The small anisotropy and piezoelectric modulus of STGS crystal were ascribed to the weak distortion of decahedral unit.