Bi系高温超导体CuO_2面内Cu-O键振动的理论分析

根据分子振动理论,采用简化模型分析了Ｂｉ系高温超导体ＣｕＯ２面内Ｃｕ Ｏ键振动的振动模式,计算了单一红外活性模Ｅｕ的振动频率·计算结果表明:ＣｕＯ２面内Ｃｕ Ｏ键Ｅｕ模式伸缩振动的频率为６７３８ｃｍ－１,８０３２ｃｍ－１,弯曲振动的频率为４１２ｃｍ－１·计算结果中６７３８ｃｍ－１,４１２ｃｍ－１与Ｂｉ系高温超导体红外吸收光谱的实验分析结果较好吻合,８０３２ｃｍ－１与实验分析结果中８００ｃｍ－１附近归属尚未确定的吸收峰峰位比较接近·

Theoretical Analysis of Cu-O Bond Vibration in the CuO2 Plane of Bi-System High Temperature Superconductor

The vibration modes of Cu O bond in the CuO 2 plane of Bi system high temperature superconductor were analysed using the Molecule Vibration Theory and vibration frequency of infrared activity mode E u was calculated. The results show that the frequencies of Cu O bond stretching vibration in mode of E u are two grades of 673 8?cm -1 and 803 2?cm -1 respectively. The frequency of Cu O bending vibration in mode of E u is 412?cm -1 . The results of 673 8?cm -1 and 412?cm -1 are very close to the results of experimental analysis. The freqency 803 2?cm -1 is close to the position of an absorption peak at near 800?cm -1 in infrared absorption spectra of the Bi system high temperature superconductor and the absorption peak has not been explained before.