کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1685368 | 1010556 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study on electronic structures of BaMoO4 crystals containing F and F+ color centers
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
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چکیده انگلیسی
The electronic structures of perfect crystals of barium molybdate (BaMoO4) and of crystals containing F and F+ color centers are studied within the framework of the fully relativistic self-consistent Dirac-Slater theory by using the numerically discrete variational (DV-Xα) method. The calculated results suggest that the donor energy level of the F center as well as F+ center is located within the band gap. The respective optical transition energies are 1.86 eV and 2.105 eV corresponding to the wavelength of the absorption band of 668 nm and 590 nm. It is therefore suggested that these bands are originate from the F and F+ centers in the crystal.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 267, Issue 7, 15 April 2009, Pages 1093–1096
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 267, Issue 7, 15 April 2009, Pages 1093–1096
نویسندگان
Xiaofeng Guo, Qiren Zhang, Tingyu Liu, Min Song, Jigang Yin, Haiyan Zhang, Xi’en Wang,