Origin of the unusually large band-gap bowing and the breakdown of the band-edge distribution rule in the SnxGe1-x alloys

被引：163

作者：

Yin, Wan-Jian ^{[1
,2
]}

Gong, Xin-Gao ^{[1
,2
]}

Wei, Su-Huai ^{[3
]}

机构：

[1] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[2] Fudan Univ, Surface Sci Lab, Shanghai 200433, Peoples R China

[3] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 16期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevB.78.161203

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The unusual nonlinear behaviors of the band gaps in SnxGe1-x alloys are investigated using first-principles calculations. We show that the large bowing of the direct band gap is induced by the disordering effect. Moreover, we calculated individual contribution of the band-edge states and found that the bowing of the conduction band edge is much larger than the bowing of the valence band edge, although the natural valence-band offset between Ge and Sn is larger than the natural conduction-band offset. The breakdown of the band-edge distribution rule is explained by the large lattice mismatch between Ge and Sn and the large deformation potential of the band-edge states.

引用

页数：4

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