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中国物理学会期刊

KCl中FH(CN)-的吸收、发射光谱及e-v能量转换机理研究

CSTR: 32037.14.aps.42.496

A STUDY OF ELECTRON ABSORPTION, EMISSION AND e-v ENERGY TRANSFER PROCESS OF FH(CN)- DEFECT PAIR IN KC1

CSTR: 32037.14.aps.42.496
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  • 以扩展离子处理方法(SLC)从理论上研究了KCl中FH(CN)-缺陷中心的基态和激发态的特性,理论计算值与FH(CN)-在KCl中的吸收、发射光谱的实验值符合得很好。计算了(CN)-分子在KCl中的本征振动频率,解释了FH(CN)-的振动荧光光谱及相应的Raman谱,指出Raman振动谱中峰的劈裂应该来源于(CN)-分子在KCl中的

     

    A theoretical study of the properties of the ground state and excited state of FH(CN)- de-fect pair in KC1 crystal has been conducted by using the SLC extended-ion method. The resul-ts of the calculation for electronic absorption and emission are in good agreement with the ex-periments. Under the harmonic approximation, we calculate the frequencies of the (CN)- stretching vibration. It is reasonable to attribute the observed splitting into four components in Ra-man vibrational spectrum to the four inequivalent (CN)- orientations with respect to the 110 neighboring F centre. Finally, the e-v energy transfer processes has been studied, It is pointed out that during the relaxation process polarization causeed by the change in F electrcr nic state would excite the (CN)- stretching mode from m = 0 to m = l.

     

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