Tuning electronic structure and luminescence of self-activated Ca3WO5Cl2 phosphors by hydrostatic pressure

被引：0
作者：
Niu, Quanwang [1 ,2 ,3 ]
Zhang, Yunpeng [1 ,2 ]
Wang, Xiangfu [1 ,2 ,3 ]
Yan, Xiaohong [1 ,2 ,3 ]
机构：
[1] Nanjing Univ Posts & Telecommun, Coll Elect & Opt Engn, Nanjing 210023, Peoples R China
[2] Nanjing Univ Posts & Telecommun, Coll Flexible Elect Future Technol, Nanjing 210023, Peoples R China
[3] Key Lab Radio & Micro Nano Elect Jiangsu Prov, Nanjing 210023, Peoples R China
来源：
OPTOELECTRONICS AND ADVANCED MATERIALS-RAPID COMMUNICATIONS | 2023年 / 17卷 / 11-12期
关键词：
Density functional theory; Self-activated phosphor; High pressure; Electronic structure; Optical properties; CRYSTAL-STRUCTURE; PRINCIPLES;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
This paper mainly focuses on the electronic structure and optical properties of self-activated Ca3WO5Cl2 phosphors under pressure using the first-principles based on density functional theory. The calculated results indicated that the band gap of Ca3WO5Cl2 drops from 3.409 eV to 2.715 eV with the increase of pressure from 0 GPa to 100 GPa. Furthermore, it was found that the absorption coefficients of Ca3WO5Cl2 in the ultraviolet region were gradually greater with the increase of pressure according to the comprehensive observation of their optical properties in the energy range of 0 eV-60 eV.
引用
收藏
页码：519 / 526
页数：8
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