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用Keating的价力场 (valenceforcefield)模型和蒙特卡罗方法计算了GaAs GaInNAsSb超晶格中键的分布、原子的精确位置以及应变 .用折叠谱法 (foldedspectrummethod)结合Williamson经验赝势法计算了GaAs GaInNAsSb超晶格应变条件下的电子结构 .讨论了N和Sb原子以及超晶格单分子层数对电子结构的影响 .发现导带底电子态在N原子周围的局域化减小了光跃迁矩阵元 ,从而影响了该超晶格的发光性能 .计算并讨论了超晶格的电子和空穴的有效质量 .
The Keating’s valenceforce field model and Monte Carlo method were used to calculate the bond distribution, the exact position and the strain of GaAsNAsSb superlattices, and the GaAs GaInNAsSb superlattice strain electronic structure under the influence of N and Sb atoms and superlattice single molecule layer on the electronic structure was discussed.The results show that the conduction band bottom electronic state localization around the N atom reduces the light transition Matrix elements, which affect the light-emitting properties of the superlattice.The effective mass of electrons and holes in the superlattice are calculated and discussed.