DFT study of electronic structure and optical properties of VO2 and Ag/VO2

被引：0

作者：

Huang, D. W. ^{[1
]}

Zhao, C. H. ^{[1
]}

Zheng, F. M. ^{[2
]}

Chen, J. H. ^{[2
]}

Li, W. Z. ^{[1
]}

机构：

[1] Guangxi Univ, Coll Mat Sci & Engn, Nanning 530004, Peoples R China

[2] Guangxi Univ, Coll Resources & Met, Nanning 530004, Peoples R China

来源：

OPTOELECTRONICS AND ADVANCED MATERIALS-RAPID COMMUNICATIONS | 2016年 / 10卷 / 7-8期

关键词：

Ag/VO2; Electronic structure; Optical property; DFT; METAL-INSULATOR-TRANSITION; NANOPARTICLES; PHASES;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure and optical properties of VO2 and AgNO2 were studied via density functional theory (DFT). The calculation results show that the interaction between Ag and O is stronger than that between V and O. There exists not only the covalent bonding but also ionic bonding in Ag-O bond. The band gap of AgNO2 is smaller than that of VO2, while the dielectric constant, conductivity, and intensity of optical absorption of AgNO2 is larger than those of VO2.

引用

页码：532 / 536

页数：5

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