Methods

The bulk properties of In_xGa_1-xAs_1-yP_y at different In and P compositions are calculated using the first-principles methods.

Results

The bandgap of In_xGa_1-xAs_1-yP_y is theoretically calculated and the formula is given. The calculated bandgap change of In_xGa_1-xAs_1-yP_y is consistent with the theoretical value, which indicates that the calculation parameters are reasonable.

Conclusion

When the In and P compositions are equally increased, the bandgap change of In_xGa_1-xAs_1-yP_y is no longer monotonic, and the closer the In and P compositions approach 0.6, the narrower the bandgap is. When the incident photon energy is low, an increase in In composition leads to a redshift in dielectric function peak and this is conducive to long-wavelength absorption, while an increase in P composition causes a blueshift. As the incident photon energy increases, In_xGa_1-xAs_1-yP_y exhibits strong metal reflection characteristics in a certain energy range. With increasing In or P composition, the energy loss increases, and the larger the In composition, the greater the shift of the energy loss peak to the high-energy side.

中文翻译：

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不同成分的InxGa1-xAs1-yPy的第一性原理研究

方法

_{In x} Ga _{1 -x} As _{1 -y} P _y在不同的 In 和 P 组成下的体积性质使用第一性原理方法计算。

结果

_{理论上计算了In x} Ga _{1 -x} As _{1 -y} P _y的带隙并给出了公式。计算得到的In _x Ga _{1 -x} As _{1 -y} P _y带隙变化与理论值一致，说明计算参数合理。

结论

当In和P组成等量增加时，In _x Ga _{1 -x} As _{1 -y} P _y的带隙变化不再是单调的，In和P组成越接近0.6，带隙越窄。当入射光子能量较低时，In成分的增加导致介电函数峰红移，这有利于长波长吸收，而P成分的增加导致蓝移。随着入射光子能量的增加，In _x Ga _{1 -x} As _{1 -y} P _y在一定的能量范围内表现出强烈的金属反射特性。随着In或P成分的增加，能量损失增加，In成分越大，能量损失峰向高能侧移动越大。