Author:
Manju ,Jain Megha,Madas Saibabu,Vashishtha Pargam,Rajput Parasmani,Gupta Govind,Kahaly Mousumi Upadhyay,Özdoğan Kemal,Vij Ankush,Thakur Anup
Abstract
AbstractWe report, for the first time, the influence of oxygen vacancies on band structure and local electronic structure of $$\hbox {SrZnO}_2$$
SrZnO
2
(SZO) nanophosphors by combined first principle calculations based on density functional theory and full multiple scattering theory, correlated with experimental results obtained from X-ray absorption and photoluminescence spectroscopies. The band structure analysis from density functional theory revealed the formation of new energy states in the forbidden gap due to introduction of oxygen vacancies in the system, thereby causing disruption in intrinsic symmetry and altering bond lengths in SZO system. These defect states are anticipated as origin of observed photoluminescence in SZO nanophosphors. The experimental X-ray absorption near edge structure (XANES) at Zn and Sr K-edges were successfully imitated by simulated XANES obtained after removing oxygen atoms around Zn and Sr cores, which affirmed the presence and signature of oxygen vacancies on near edge structure.
Funder
University Grants Commission
Council of Scientific and Industrial Research, India
European Regional Development Fund
UGC-DAE Consortium for Scientific Research, India
Inter-University Accelerator Center (IUAC), New Delhi, India
Publisher
Springer Science and Business Media LLC
Cited by
10 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献