کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1815499 | 1525244 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study on electronic structures and color centers in BaWO4 crystal with barium vacancy
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study on electronic structures and color centers in BaWO4 crystal with barium vacancy First-principles study on electronic structures and color centers in BaWO4 crystal with barium vacancy](/preview/png/1815499.png)
چکیده انگلیسی
The electronic structures and absorption spectra for the perfect BaWO4 (BWO) crystal and the BWO crystal containing barium vacancy (VBa2-) have been studied by using density functional theory code CASTEP with the lattice structure optimized. For the BWO crystal containing VBa2-, there exhibit four absorption bands peaking at 0.71 eV (1751 nm), 1.85 eV (672 nm), 3.43 eV (362 nm) and 3.85 eV (322 nm), respectively. The origins of the absorption bands have been discussed and corresponding color centers also have been established.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 404, Issues 8–11, 1 May 2009, Pages 1538–1543
Journal: Physica B: Condensed Matter - Volume 404, Issues 8–11, 1 May 2009, Pages 1538–1543
نویسندگان
Haiyan Zhang, Tingyu Liu, Qiren Zhang, Xi’en Wang, Xiaofeng Guo, Min Song, Jigang Yin,