کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1810225 1525236 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The structural, electronic and optical response of IIA–VIA compounds through the modified Becke–Johnson potential
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
The structural, electronic and optical response of IIA–VIA compounds through the modified Becke–Johnson potential
چکیده انگلیسی

The structural, electronic and optical properties of IIA–VIA compounds are performed, by using the full-potential linearized augmented plan wave (FP-LAPW) method within DFT, by using the (PBEsol-GGA 2008) version. We have compared the modified Becke–Johnson (mBJ) potential to LDA, GGA and EV-GGA approximations. The IIA–VIA compounds have rock salt structure (B1) and zinc-blend structure (B3). The results obtained for band structure using mBJ show a significant improvement over previous theoretical work and give closer values to the experimental results. The bandgaps less than 3.1 eV are used in the visible light devices applications, while those with bandgaps bigger than 3.1 eV, used in UV devices applications. Optical parameters, like the dielectric constant, refractive indices, reflectivity, optical conductivity and absorption coefficient are calculated and analyzed. Refractive index lesser than unity (vg=c/n) shows that the group velocity of the incident radiation is greater than the speed of light.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 410, 1 February 2013, Pages 93–98
نویسندگان
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