Cn ~ - Alkali Ion In The Cesium Halide Crystal Defects On The Calculation Of Ir Spectra And The Vibration Of Cn ~ - Point Defects Localized

Using a model potential, calculations on the vib-rational modes of CN^- molecule taken the form of an ellipsoid in the CN^-/alkali-ion impurities complex in cesium halides have been made. Existence of two opposite dipole orientations of CN^-/impurity complex for aligned in. the axis of the defect pair, which have been found by Osten & Luty in their experiments, can. be confirmed. And in our model, we appreciated the <100> symmetry for the equilibrium oritentations of CN^- defects in cesuim halides. Furthermore, the contributions of the crystal field to the frequency shift of CN^- molecule in CN^-/alkali-ion complex are found to be very important. In the later of this paper, studies on the location vibrations of CsCl-structure crystals such as CsCl, CsBr, CsI due to the CN" impurity can be made. Gap modes of CsCl:CN^- are calculated to be 83.0 cm^-1 and 83.5 cm^-1.