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中国物理学会期刊

化学键对闪锌矿型晶体能带结构的影响

CSTR: 32037.14.aps.18.491

INFLUENCE OF THE CHEMICAL BOND ON THE ENERGY BANDS OF THE ZINC BLENDE STRUCTURE

CSTR: 32037.14.aps.18.491
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  • 本文在Slater与Koster的简化原子轨道线性组合方法的基础上,引入了化学键的参量。将布里渊区的某些特殊点的能级表示为这些参量的函数。讨论了禁带宽度与导带最小点之位置随化学组成的变化而变化的情况。得到的结果与已有事实定性符合。

     

    The energy bands of the zinc blende structure are treated by the simplified LCAO method of Slater and Koster. A model of the chemical bond is proposed for the purpose that the matrix elements involved may be expressed in terms of certain parameters of the chemical bonds. The energy levels of a number of points in the Brillouin zone are investigated. With this approach, we discuss the variation of the band gap as well as the position shift of the conduction band edge with the change of chemical compositions.

     

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