Composition-dependent band gaps and indirect–direct band gap transitions of group-IV semiconductor alloys
文献情報
Zhen Zhu, Jiamin Xiao, Haibin Sun, Yue Hu, Ronggen Cao, Yin Wang, Li Zhao, Jun Zhuang
We used the coherent potential approximation to investigate the band structures of group-IV semiconductor alloys, including SixGe1−x, Ge1−ySny and SixGe1−x−ySny. The calculations for SixGe1−x prove the reliability and accuracy of the method we used. For Ge1−ySny, the direct band gap optical bowing parameter we obtained is 2.37 eV and the indirect–direct band gap transition point is at y = 0.067, both consistent with the existing experimental data. For SixGe1−x−ySny, with the increase of the Si concentration, the compositional dependency of the band gap becomes complex. An indirect–direct band gap transition is found in SixGe1−x−ySny in the range of 0 < x ≤ 0.20, and the indirect–direct crossover line in the compositional space has the quadratic form of y = 3.4x2 + 1.11x + 0.07, not the linear form as suggested before. Furthermore, for the Ge lattice-matched alloy Ge1−x(Si0.79Sn0.21)X, our results show that those with 0.18 < X < 0.253 have band gaps larger than 0.8 eV at room temperature.
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