Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 53, Issue -, Pages 101-105Publisher
ELSEVIER
DOI: 10.1016/j.physe.2013.04.026
Keywords
First-principles calculation; Ferromagnetism; Optical properties
Funding
- National Natural Science Foundation of China [61076088, 11274143, 911221101]
- Natural Science Fund for Distinguished Young Scholars of Shandong Province [JQ201001]
- Natural Science Foundation of University of Jinan [XKY1224]
- Technological Development Program in Shandong Province Education Department [J10LA16]
Ask authors/readers for more resources
We performed first-principles calculations within density-functional theory to study the magnetic and optical properties of Cu-doped ZnO nanosheet (NS). We found that Cu atom prefers to substitute for Zn site and can induce a local magnetic moment of 1.00 mu(B) per unit in ZnO NS. When two Zn atoms are substituted by two Cu dopants, they tend to form a cluster and ferromagnetic (FM) ordering becomes energetically more favorable. In addition, localized states appear within the band gap due to the introduction of Cu dopant to ZnO NS. With increasing Cu concentrations, both the imaginary part of dielectric function and the absorption spectrum exhibit a red-shift behavior, which are in good agreement with the recent experimental results. The ferromagnetic coupling can be attributed to the p-d hybridization mechanism. The intriguing properties of Cu-doped ZnO NS may be promising for designing novel multifunctional nanodevice. (C) 2013 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available