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Investigation of the correlation between physico-chemical, optical and thermal properties of (GeS 2 ) 60 (Sb 2 S 3 ) 40−x (CdCl 2 ) x chalcohalide glasses
Physica Scripta ( IF 2.9 ) Pub Date : 2020-07-15 , DOI: 10.1088/1402-4896/aba2f9
Imen Kebaili 1, 2 , Imed Boukhris 1, 3 , A Dahshan 1, 4
Affiliation  

The correlation between physico-chemical, optical, and thermal properties of (GeS 2 ) 60 (Sb 2 S 3 ) 40−x (CdCl 2 ) x ( x = 0, 10, 20, 30, and 40 mol%) chalcohalide glasses was systematically investigated through the replacement of Sb 2 S 3 by CdCl 2 . The optical band gap was estimated based on the system density, and it was turned out that it hardly increased from 2.16 to 2.3 eV with increasing CdCl 2 content from 0 to 40 mol%. Moreover, we theoretically determined the valence band (E VB ) and conduction band (E CB ) positions using the calculated band gap values. The molar volume of the studied system increased while the density as well as the packing density decreased by increasing CdCl 2 content. The average coordination number, the constraints number, the mean bond energy, and the average heat of atomization have been calculated via the ch...

中文翻译:

(GeS 2)60(Sb 2 S 3)40-x(CdCl 2)x卤化glasses玻璃的理化,光学和热性质之间的相关性研究

(GeS 2)60(Sb 2 S 3)40-x(CdCl 2)x(x = 0、10、20、30和40 mol%)卤化hal玻璃的物理化学,光学和热性质之间的相关性通过用CdCl 2代替Sb 2 S 3进行了系统研究。根据系统密度来估计光学带隙,结果发现,随着CdCl 2含量从0摩尔%增加到40摩尔%,光学带隙几乎没有从2.16增加到2.3eV。此外,我们使用计算出的带隙值从理论上确定了价带(E V​​B)和导带(E CB)的位置。通过增加CdCl 2含量,所研究体系的摩尔体积增加,而密度和堆积密度降低。平均配位数,约束数,平均键能和平均雾化热是通过化学式计算的。
更新日期:2020-07-16
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