کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594829 | 1515658 | 2010 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study on the electronic structures and optical properties of Y AlO3 crystal with interstitial oxygen atom
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical study on the electronic structures and optical properties of Y AlO3 crystal with interstitial oxygen atom Theoretical study on the electronic structures and optical properties of Y AlO3 crystal with interstitial oxygen atom](/preview/png/1594829.png)
چکیده انگلیسی
The electronic structures and absorption spectra for Y AlO3 (YAP) crystal with and without interstitial atom (Oi) are studied using the CASTEP code with lattice structure optimized. The calculated absorption spectra of YAP containing Oi (Y AP:Oi) exhibit new absorption bands in the region from 190 to 250 nm compared with that of perfect YAP crystal. The absorption bands of YAP crystal show anisotropy and its optical symmetry coincides with the lattice structure geometry of the YAP crystal. By analyzing the calculated results it can be concluded that the Oi in YAP cause significant lattice distortion around it and is responsible for the new appeared absorption bands from 190 to 250 nm.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 150, Issues 17–18, May 2010, Pages 897–900
Journal: Solid State Communications - Volume 150, Issues 17–18, May 2010, Pages 897–900
نویسندگان
Jianyu Chen, Guangjun Zhao, Yuanyuan Sun, Tingyu Liu,