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本文用硅-氧化硅复合纳米材料的能带混合模型研究了多孔硅中的高能激发态．理论计算表明，随着电子能量的升高△波和Г波之间产生了极强的相互耦合，形成一对强△态和强Г态．这两种状态分别被限制在中心硅丝和表面氧化硅层中，从而产生实验中观察到的量子限制态和非量子限制态．在有效质量理论框架下计算了不同能级间的光跃迁矩阵元，得出了跃迁选择定则．强△态与Г态间的跃迁几率很小，在俘获电子以后可以构成一种元激发陷阶,运用所计算的结果较好地解释了实验中观察到的PL和CL光谱中的量子限制态、非量子限制态、元激发陷阱以及各种不同的谱峰．
In this paper, the energy-band mixing model of silicon-silica composite nanomaterials was used to study the high-energy excited states in porous silicon. Theoretical calculations show that with the rise of electron energy, there is a strong mutual coupling between wave and Γ wave, forming a pair of strong and strong Γ states. These two states are confined to the central silicon and the surface silicon oxide layers, respectively, resulting in the quantum confined and non-quantum confined states observed experimentally. In the framework of effective mass theory, the matrix of light transitions between different energy levels is calculated and the transition selection rules are obtained. The transition probability between the strong Δ state and the Г state is very small. After the electrons are trapped, a meta-excitation trap can be formed. The computed results better explain the quantum confinement states observed in the PL and CL spectra , Non-quantum confinement states, meta-excitation traps, and a variety of different spectral peaks.