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Optical Absorption of Large Band-Gap Sb_xBi_(1-x)I_3 Alloys

机译:大带隙Sb_xBi_(1-x)I_3合金的光吸收

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摘要

The optical properties of SbBiI_3 alloys have been investigated experimentally by absorption measurements and theoretically by a full-potential augmented plane wave (FPLAPW) method within the generalized gradient approximation. The fundamental band-gap energy of these alloys changes from BiI_3- to SbI_3-like with increasing percentage of Sb content. The calculated band-gap energies as well as the optical absorption were found to be in a very good qualitatively agreement with the experimental results. We present calculated density-of-states as well as the dielectric functions for evaluation of future experiments.
机译:SbBiI_3合金的光学性能已通过吸收测量进行了实验研究,并在广义梯度近似内通过理论上通过全电势增强平面波(FPLAPW)方法进行了研究。随着Sb含量的增加,这些合金的基本带隙能从BiI_3-变为SbI_3-。发现计算出的带隙能量以及光吸收与实验结果在质量上非常吻合。我们提出了计算的状态密度以及介电函数,用于评估未来的实验。

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