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在Koster-Slater格林函数以及中心原胞缺陷势近似的基础上第一次给出并讨论了Si,GaAs,GaP深能级波函数在Bloch空间的分布特征。并指出,对于一定能带数目的近似晶体模型,计算深能级波函数的收敛性比计算深能级能量的收敛性要快。A simple method in the framework of Koster-Slater Green's function calculation and central cell defect potential (CGDP) approximation is used to calculate the distribution of deep level wavefunctions in Bloch space for Si, GaAs and GaP for the first time. Convergence properties are discussed. It is shown that for definite number of energy bands in the host crystal model, the convergence of deep level wavefunction calculations is faster than that of deep energy calculations.
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