کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1813924 | 1025642 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles calculations of the electronic and optical properties of In6S7 compound
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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 calculations of the electronic and optical properties of In6S7 compound First-principles calculations of the electronic and optical properties of In6S7 compound](/preview/png/1813924.png)
چکیده انگلیسی
The electronic structure and the optical properties of In6S7 crystal are calculated by the first-principles full-potential linearized augmented plane wave method (FP-LAPW) using density functional theory (DFT) in its generalized gradient approximation (GGA). The calculated band structure shows that the In6S7 is a semiconductor with a direct band gap in good agreement with experimental studies. Furthermore, the dielectric tensor and the optical properties, such as absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum and reflectivity, are derived and analyzed in the study.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 404, Issue 2, 28 February 2009, Pages 194–198
Journal: Physica B: Condensed Matter - Volume 404, Issue 2, 28 February 2009, Pages 194–198
نویسندگان
H. Ben Abdallah, R. Bennaceur,