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分析了杂质原子在半导体中的成键情况,我们在一般能带波函数中混入部分分子型局域波函数,从而得到带有修正项的有效质量方程。在简单能带结构情况下,我们讨论了电离能与原子性质的关系,及由浅能级向深能级的转化。进而分析了由于Ge、Si中导带各极值所产生的谷轨道分裂。对浅能级,由于键间相互作用,电离能可以有相对较大的修正,但波函数却变化很小,这与电子自旋共振超精细结构的实验结果一致。In accordance with the bond formation of impurity atoms in semiconductors, a wave function of the local molecular type was admixed into the band function. We obtained an effective mass-equation with an additional term of the S function type. In the case of simple band structure, the influence of atomic character on the ionization energy, and the relation between the shallow and the deep levels were discussed. Further more, we analyzed the valley-orbit splitting caused by the existance of several equivalent minima of conduction band in Ge and Si. Because of the interaction between bonds, the variation of wave function of a shallow level is small, but the correction on the ionization energy may be appreciable. This is in agreement with the hyper-fine structure data of the electron spin resonance.
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