کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10656288 | 1005481 | 2016 | 28 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Comparative first principles study of ZnO doped with group III elements
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this paper, we present a comparative study of structural, electronic, optical and electrical properties of ZnO doped with aluminum, gallium and indium. The calculated structural parameters were obtained using the Generalized Gradient Approximation. The influence of doping ZnO on growth directions was investigated. The electronic structure, absorption coefficient, reflectivity, refraction index, and transparency were determined using the modified Becke-Johnson potential implemented in the Wien2K code. The electrical conductivity was calculated for all compounds using the Boltzmann transport equation. We have found that these elements present a good optical and electrical conductivity with a significant improvement for the ZnO doped Al compared to the ZnO doped Ga or In. The results for pure and doped ZnO are in a good agreement with experimental and other theoretical studies and confirm their usability in photovoltaic devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 688, Part B, 15 December 2016, Pages 368-375
Journal: Journal of Alloys and Compounds - Volume 688, Part B, 15 December 2016, Pages 368-375
نویسندگان
Mohamed Khuili, Nejma Fazouan, Hassna Abou El Makarim, Ghizlane El Halani, El Houssine Atmani,