Study of the electronic structures of oxygen doped in LiBaF3 crystal

Qiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fan and Zhou, Xiuwen (2009) Study of the electronic structures of oxygen doped in LiBaF3 crystal. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms, 267 15: 2467-2470. doi:10.1016/j.nimb.2009.05.072


Author Qiao, Hailing
Liu, Tingyu
Zhang, Qiren
Cheng, Fan
Zhou, Xiuwen
Title Study of the electronic structures of oxygen doped in LiBaF3 crystal
Formatted title
Study of the electronic structures of oxygen doped in LiBaF3 crystal
Journal name Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms   Check publisher's open access policy
ISSN 0168-583X
1872-9584
Publication date 2009-08-01
Sub-type Article (original research)
DOI 10.1016/j.nimb.2009.05.072
Open Access Status Not yet assessed
Volume 267
Issue 15
Start page 2467
End page 2470
Total pages 4
Place of publication Amsterdam, Netherlands
Publisher Elsevier BV
Language eng
Abstract The most likely substituting positions of impurity oxygen ions in LiBaF3 crystals are studied using the general utility lattice program (GULP). The calculated results indicate that the main defect model is [OF′+VF·] in the O:LiBaF3 crystal. The electronic structures of the LiBaF3 crystal with the defect [OF′+VF·] are calculated using the DV-Xα method. It can be concluded from the electronic structures that the LiBaF3 crystal with the defect [OF′+VF·] will exhibit a 217–280 nm absorption band and the impurity oxygen will decrease core-valence luminescence yield.
Keyword [OF′ + VF·]
Absorption band
Electronic structures
LiBaF3 crystal
Oxygen doped
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Mathematics and Physics
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 0 times in Thomson Reuters Web of Science Article
Scopus Citation Count Cited 1 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Wed, 15 Mar 2017, 01:00:30 EST by Web Cron on behalf of Learning and Research Services (UQ Library)