离子晶体中CN红外吸收受近邻浸杂质影响的讨论

Discussion about the Influence on IR Absorption of CN Defects in Cesium Halides by Alkali Impurity

本文采用一个简单摸型对CN^-与正离子杂质组合的振动吸收谱进行了理论计算,确定了组合体的位形。在讨论中发现CN^-的位形不但具有偏心,而且取向上具有偏轴现象。

The fundamental vibrational absorption of the CN^-/alkali impurity complex was calculated by a simple model. The configurations of the complex were determined, Both off-center and off-axis phenomena were found.