کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5402435 | 1392734 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Origin of the 330Â nm absorption band and effect of doping Yb in LiYF4 crystals
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Origin of the 330Â nm absorption band and effect of doping Yb in LiYF4 crystals Origin of the 330Â nm absorption band and effect of doping Yb in LiYF4 crystals](/preview/png/5402435.png)
چکیده انگلیسی
The electronic structures of LiYF4 (YLF) crystals containing F color center (YLF-F) and Yb doped YLF crystals (Yb3+:YLF, Yb2+:YLF) are systematically studied within the framework of the density functional theory. The calculated results indicate that the 330 nm absorption band originates from the F center in YLF crystals. Thus the doping of Yb3+ can weaken the 330 nm absorption band by competing with F vacancies in capturing free electrons arising after γ-irradiation and change to Yb2. By analyzing the lattice relaxation and the electronic structure of YLF containing Yb2+, we can reasonably believe that once Yb2+ is formed in YLF crystal, its compensating hole will turn out to be shared by two Fâ nearest to Yb2+ forming a diatomic fluoride molecular ion (F2â) perturbed by Yb2+, or to say VF color center. According to the molecular-orbital linear combination of atomic orbital (MO-LCAOs) theory, compared to the alkali halides, e.g. LiF, the F2â in VF center in LiYF4 peaks at about 340 nm, which is in agreement with the experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 130, Issue 8, August 2010, Pages 1338-1342
Journal: Journal of Luminescence - Volume 130, Issue 8, August 2010, Pages 1338-1342
نویسندگان
Jigang Yin, Yin Hang, Lianhan Zhang, Chengchun Zhao, Jing Xiong, Pengchao Hu,