کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1685320 | 1010553 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Computer study of intrinsic defects in CaWO4
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
A computer simulation has been performed to study the intrinsic defects in CaWO4. The inter-atomic interaction potentials are empirically fitted to the known crystal properties. The results reveal that the predominant intrinsic defects existed in the crystal should be oxygen Frenkel-type. Calculated formation energies of electronic defects suggest that the hole is easier to be trapped by oxygen ion than by calcium ion, and oxygen would prior to occupy the oxygen vacancy during the annihilation under oxidation atmosphere. An analysis of activation energy shows that oxygen vacancy migration is movable ionic defects in CaWO4.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 266, Issue 5, March 2008, Pages 797–801
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 266, Issue 5, March 2008, Pages 797–801
نویسندگان
Zexu Shao, Qiren Zhang, Tingyu Liu, Jianyu Chen,