Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1612115 | Journal of Alloys and Compounds | 2014 | 5 Pages |
Abstract
In this work, first-principles plane-wave ultrasoft pseudopotential method is employed to investigate band structures, density of states and absorption spectra in pure and Cu-doped ZnO theoretically. In experiment, Cu-doped ZnO crystalline film is synthesized by hydrothermal method. Compared with pure ZnO, the photoluminescence spectrum in Cu-doped ZnO shows that the UV emission peak shifts to lower energy and its intensity decreases. Moreover, there are two more emission peaks centered in blue and green regions. The calculated results show that there is an energy shift both in conduction and valence band which lead to the band gap become narrower in Cu-doped ZnO than that of pure ZnO. Moreover, some impurity levels are calculated near the valence band maximum in theory, which causes two emission peaks centered at about 469Â nm and 535Â nm observed in PL spectra.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Chuanhui Xia, Feng Wang, Chunlian Hu,