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采用两种简单的一维模型,通过直接严格求解该模型下薛定鄂方程给出晶场中的限域情况下电子能级结构以及纳米体系中电子的限域能,从而研究体系的发光蓝移现象.基于限域能的计算,讨论了纳米体系的限域能和发光蓝移随尺寸以及势场的变化关系.结果表明:导带底的电子能级随体系的尺寸增大而降低;而价带顶则随粒径的增大而升高,因此,限域能随纳米尺寸的减小迅速增大.同时将计算结果与通常文献中所采用的有效质量计算的结果进行比较,可以看出二者有明显差别,且尺寸越小,其差异越大.因此,限域能随尺寸的变化并不严格满足通过有效质量方法计算出来的结果.也分析了限域能与晶场势高度的关系,结果表明限域能随之增大而减小.
Using two simple one-dimensional models, the electron-level structure of electrons and the confinement energy of electrons in the nanometer system are given by directly and strictly solving the Schrödinger equation in the crystal field so as to study the blue-shift phenomenon of the system Based on the calculation of the localized energy, the relationship between the localized energy and the blue shift of luminescence with the size and the potential field are discussed.The results show that the electron energy level of the bottom of the conduction band decreases with the increase of the size of the system, The band top increases with the increase of particle size, therefore, the domain can rapidly increase with the decrease of nanometer size.Compared with the results of effective mass calculation used in the common literature at the same time, The difference between the two is not obvious, and the smaller the size is, the larger the difference is, therefore, the variation of the domain with the size does not strictly satisfy the result calculated by the effective mass method. The results show that the limit can increase and decrease.