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EHMO方法对KI晶体电子结构的研究
引用本文:崔玉亮.EHMO方法对KI晶体电子结构的研究[J].河南科学,1998,16(1):40-44.
作者姓名:崔玉亮
作者单位:商丘师专物理系
摘    要:EHMO方法结合特殊点方案,利用自包容子程序,计算了KI晶体的态密度,确定了价级位置,得出了其能隙和价带宽度。

关 键 词:态密度  能隙  价带宽度

A STUDY TO THE ELECTRONIC STRUCTURE OF KI CRYSTAL BY EHMO
Cui Yuting.A STUDY TO THE ELECTRONIC STRUCTURE OF KI CRYSTAL BY EHMO[J].Henan Science,1998,16(1):40-44.
Authors:Cui Yuting
Abstract:By EHMO to incorporate special points procedure, and to use the selfcontained subroutine, we calculated the densities of energy states of KI crystal. The position of the valence levels, the band gaps and the widths of the valence bands are found to depend on such method.
Keywords:Densities of states    Energy gaps    the widths of valence bands
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