First-principles study on the electronic structures and optical properties of CsVO3

被引：4
|
作者：
Luo, Jiaolian [1 ,2 ]
Yang, Anqi [1 ,3 ]
Wang, Xiaohui [1 ,3 ]
Liu, Keyin [1 ,2 ]
机构：
[1] Special & Key Lab Guizhou Prov Higher Educ Green, Guiyang, Guizhou, Peoples R China
[2] Guizhou Minzu Univ, Sch Mat Sci & Engn, Guiyang, Guizhou, Peoples R China
[3] Guizhou Univ, Coll Big Data & Informat Engn, Guiyang, Guizhou, Peoples R China
来源：
FERROELECTRICS | 2020年 / 564卷 / 01期
关键词：
CsVO3; electronic structure; optical properties; first principle; PHOTOLUMINESCENCE; LUMINESCENT; CS; RB;
D O I：
10.1080/00150193.2020.1761701
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this paper, a CSVO(3)phosphor for white LED has been successfully prepared by solid-state synthesis and has been characterized. The CsVO(3)was simulated by Materials Studio software based on density functional theory (DFT). The results show that the CsVO(3)sample has a direct optical transition with band gap energy of 3.143 eV. Under ultraviolet excitation in the range of 300-390 nm, the emission spectrum of CsVO(3)phosphors ranges from 400 to 700 nm, and its peak emission spectrum is near 492 nm, and shows yellow color fluorescence emission. These results indicate that CsVO(3)phosphor can be used as a promising white phosphor for white LED.
引用
收藏
页码：52 / 58
页数：7
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