Effects of incorporating (SbS) in the quaternary (CdTe)100-x(SbS)x (x = 0, 8, 16, 20 and 28 at. %) glasses on different physico-chemical properties were investigated using the chemical bond approach. In addition to the estimation of the coordination number, constraint number (Ns), heat of atomization (Hs), cohesive energy and lone pair electrons, one presents theoretically the band gap estimation as well as the valence band (EVB) and conduction band (ECB) positions. The theoretical estimations of band gap are in good agreement with the previously published experimental results, and all compounds have their band gap in the infrared range (from 1.58 to 1.36 eV). Therefore, these materials may be used as an optical absorber in the wavelength range between 0.784 and 0.911 μm. This indicates that the studied compositions could be used for the development of new-generation infrared systems as well as for solar cell devices. Furthermore, the increase of (SbS) content decreases the network rigidity, but due to the decrease in the excess of Cd–Cd, one found, in contrary, an increase in the cohesive energy of the system.

中文翻译：

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(SbS) 添加对四元 (CdTe)100-x(SbS)x (0 ≤ x ≤ 28 at. %) 玻璃和带隙工程物理性质的影响

使用化学键方法研究了在四元 (CdTe)100-x(SbS)x (x = 0, 8, 16, 20 和 28 at. %) 玻璃中加入 (SbS) 对不同物理化学性质的影响。除了对配位数、约束数（Ns）、原子化热（Hs）、内聚能和孤对电子的估计外，理论上还提出了带隙估计以及价带（EVB）和导带（欧洲央行）头寸。带隙的理论估计与先前公布的实验结果非常一致，所有化合物的带隙都在红外范围内（从 1.58 到 1.36 eV）。因此，这些材料可以用作波长范围在 0.784 到 0.911 μm 之间的光吸收剂。这表明所研究的组合物可用于开发新一代红外系统以及太阳能电池设备。此外，(SbS) 含量的增加降低了网络刚性，但由于 Cd-Cd 过量的减少，相反，系统的内聚能增加。