采用形变势理论系统地研究了(001)、(110)、(111)晶面双轴张应变以及[001]、[110]、[111]晶向单轴张应变Ge1-xSnx导带结构。结果表明:在 (001)、(110)晶面施加双轴张应变以及[001]晶向施加单轴张应变时,直接带隙Γ能谷的下降速度快于间接带隙L能谷;在 (111)晶面施加双轴张应变以及[110] 、[111]晶向施加单轴张应变时,间接带隙L能谷的下降速度快于直接带隙Γ能谷。因此,可利用(001)、(110)晶面双轴张应变以及[001]晶向单轴张应变实现通过减小Sn的组分将Ge1-xSnx合金调控为直接带隙材料的目的。相关结论可为Ge1-xSnx合金的实验制备及器件仿真等提供关键参数和理论指导。

In this study, we systematically calculate the conduction band structure of biaxial tensile strain paralleled to (001),(110), and (111) crystal planes and uniaxial tensile strain paralleled to [001], [110], and [111] crystal direction in Ge_1-xSn_x alloys based on the deformation potential theory. Results indicate that the descent speed in the Γ valley is faster than that in the L valley in the case of biaxial tensile strain paralleled to (001) and (110) crystal planes and uniaxial tensile strain paralleled to [001] crystal direction in Ge_1-xSn_x. However, the descent speed in the L valley is faster than that in the Γ valley in the case of biaxial tensile strain paralleled to (111) crystal plane and uniaxial tensile strain paralleled to [110] and [111] crystal directions in Ge_1-xSn_x. The strategy of tuning Ge_1-xSn_x alloy into a direct band gap material is proposed for reducing Sn composition based on biaxial tensile strain paralleled to (001) and (110) crystal planes and uniaxial tensile strain paralleled to [001] crystal direction in Ge_1-xSn_x alloy which will provide references for the experimental preparation and device simulation.