Relationship Between Band Gap and Bulk Modulus of Semiconductor Materials

被引：15
|
作者：
Li, Keyan [1 ]
Kang, Congying [1 ]
Xue, Dongfeng [1 ,2 ]
机构：
[1] Dalian Univ Technol, Sch Chem Engn, Dalian 116024, Peoples R China
[2] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Jilin, Peoples R China
来源：
MATERIALS FOCUS | 2012年 / 1卷 / 01期
基金：
中国国家自然科学基金;
关键词：
Band Gap; Bulk Modulus; Semiconductor; Valence Electron;
D O I：
10.1166/mat.2012.1014
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We find quantitative linear relations between the band gap (E-g) and bulk modulus (B) for each type of binary A(N)B(8-N) semiconductors by dividing valence electrons into localized and delocalized parts. The ratio of band gap to average bond volume is defined as the excited energy density of chemical bonds (mu) which reflects the resisting ability of delocalized electrons of chemical bonds to compression. The slope of linear relation between mu and B is a function of the valence state and coordination number of cations. Further, we extend the quantitative correlation to calculate the band gap of ternary chalcopyrite semiconductors by considering the cation d state effects. The calculated results agree with the experimental values, indicating that the quantitative equation clarifies the intrinsic correlation between band gap and bulk modulus.
引用
收藏
页码：88 / 92
页数：5
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