Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 82, Issue 1, Pages 137-139Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2011.07.016
Keywords
Defect structure; ZnO; First-principle calculations; Crystal field theory
Categories
Funding
- Fundamental Research Funds for the Central Universities
- Natural Science Basic Research Plan in Shaanxi Province of China [2010JM1015]
- Education Committee Natural Science Foundation of Shaanxi Province [2010JK404]
Ask authors/readers for more resources
By using crystal field theory, the optical spectra, zero field splitting and g factors have been calculated. The defect structure for V3+ in ZnO crystal has been studied by using crystal field theory and first-principle calculations. The results show that, the V3+ ions do not occupy the exact Zn2+ site, but displaced along C-3 axis. (C) 2011 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
Share Paper
