Stress affects the electronic transition and effectively regulates the optical properties of SnS2

被引:0
|
作者
Cen, Weifu [1 ,2 ]
He, Xin [1 ]
Zou, Ping [1 ]
Yao, Bing [1 ]
Ou, Jiankai [1 ]
Lyu, Lin [1 ]
Tian, Zean [2 ,3 ]
Yang, Yinye [1 ]
机构
[1] Guizhou Minzu Univ, Sch Mat Sci & Engn, Guiyang 550025, Peoples R China
[2] Guizhou Univ, Inst Adv Optoelect Mat & Technol, Coll Big Data & Informat Engn, Guiyang 550025, Peoples R China
[3] Hunan Univ, Coll Comp Sci & Elect Engn, Changsha 410082, Peoples R China
关键词
Electronic structure; Optical properties; Stress regulate; First-principle; SnS2; THIN-FILMS; PHOTOCATALYTIC PROPERTIES; ELECTRICAL-PROPERTIES;
D O I
10.1016/j.cplett.2024.141672
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
SnS2 is a IV-VI group semiconductors, and has excellent photoelectronic properties, but the properties are significantly affected by stress. So, the properties and influence mechanism are studied using first principles method. The band gap of SnS2 shows three changes points with stress, which occurs at 1.0 GPa, 7.0 GPa and 8.0 GPa, respectively. The reason is that the electrons of Sn-5 s, Sn-5p and S-3p are sensitive differently to stress, the electrons are easy to be excited, and the electronic structure and optical properties are affected. The epsilon 1 and eta of SnS2 show three different variation rules, which are similar to the variation of the band gap, and the first peak of epsilon 1 increases with the increase of stress. epsilon 2, the edge of absorption and k are move to the direction of low energy with the increase of stress. It is means that stress can effectively regulate the electronic structure of SnS2 and improve the utilization of light.
引用
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页数:9
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