用平面波法计算Si—nipi掺杂超晶格的电子态

The Calculation of the Electron States in Si-nipi Doping Superlattice by the plane Wave Method

本文用平面波法自洽地计算了Si-nipi掺杂超晶格的电子态。当di→0时,对称性较高的<100>、<110>和<111>方向计算的结果与在正空间用各向同性模型计算的结果相比较,其有效带隙的变化规律基本一致,说明用平面波法计算Si-nipi超晶格的电子态是行之有效的。

In this paper, the electron states in Si—nipi superlattice were calculated by the plane wave method. When d_1→0, the comparation heween calculation results for higher symmetry direction<100<110.<111and isotropic model shows the varitional regularity of the effective hand gap being in agreement essentialy. The calculation of the electron states in Si-nipi superlattice by means of the plane wave method is efficient.