Theory of the energy-band lineup at an abrupt semiconductor heterojunction
Theory of the energy-band lineup at an abrupt semiconductor heterojunction
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DOI：
10.1103/physrevb.16.2642
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发表时间：
1977-09
影响因子：
3.7
通讯作者：
W. Frensley;H. Kroemer
中科院分区：
文献类型：
--
作者：
W. Frensley;H. Kroemer
我们提出了一个精确的模型，用于预测突变半导体异质结的能带排列。对于体半导体，能带相对于静电势的位置是通过自洽赝势计算的。然后根据离子模型计算静电势的排列，其中离子电荷由原子种类的电负性决定。所得的能带排列与异质结的晶体取向无关。它们也与实验数据基本一致。
We present a refined model for the prediction of the energy-band lineup at an abrupt semiconductor heterojunction. The position of the energy bands with respect to the electrostatic potential is calculated by a self-consistent pseudopotential,for the bulk semiconductors. The lineup of the electrostatic potentials is then calculated from an ionic model in which the ionic charges are determined by the electronegativities of the atomic species. The resulting band lineups are independent of the crystallographic orientation of the heterojunction. They are also generally consistent with experimental data.