【摘要】 采用扩展离子方法研究了卤化铵晶体中自陷态激子(STE)的辐射光谱和Vk心的吸收光谱,根据变分法原理确定STE系统的最小能量及其相应的离子位移场.用赝势方法确定缺陷电子的态和能量,研究结果表明STE辐射光谱和Vk心吸收光谱与实验符合得很好。更多还原

【Abstract】 On the extended-ion method has been used to investigate luminescence energies of the Self-Trapped Exaction(STE) and absorption energies of theVk-center in Ammonium Halide Crystals.Theenergy and the corresponding equilibrium configuration of crystal are determined by minimizing the totalenergy of the system.A hybrid pseudo potential method is used to determine the energy and states of thedefect electron.The results showthatthe luminescence energies of the STE and the absorption energies oftheVk-center are in good agreement with the experimental results.更多还原