【摘要】 本文采用一种简单的模型,应用传递矩阵的格林函数方法,计算了Si(111)2×1重构表面以及Si(100)面的电子态密度.计算结果表明,在合理地作出一些假定后,本文和其它比较繁复的计算方法所得到的结果,在定性上是符合的.更多还原

【Abstract】 The electronic structures of a 2×1 reconstructed Si(111) surface and of an idealSi (100) surface are studied with the "Transfer-Matrix Green Function" method (TMG)proposed by L. M. Falicov and F. Yndurain.The calculation is based on a simple modelonly and the results obtained are in fair agreement with that from other more sophis-ticated and time-consuming methods.Some problems about the selection of parametersare also discussed.更多还原