کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7119247 | 1461410 | 2015 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles calculations of the structural, electronic and optical properties of In1âxBxAsyP1ây quaternary alloys lattice matched to InP and BeS
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مهندسی برق و الکترونیک
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The structural, electronic, and optical properties of the cubic In1âxBxAsyP1ây quaternary alloys lattice matched to InP and BeS have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The generalized gradient approximation (GGA) of Wu and Cohen was used as the exchange correlation potential to calculate the structural and electronic properties. In addition, the alternative GGA proposed by Engel and Vosko and the modified Becke-Johnson potential are utilized to calculate the electronic properties. The computed structural and electronic properties of the binary compounds are in good agreement with the available experimental and theoretical data. For the alloys, non-linear variations of composition x and y with the lattice constant, bulk modulus, direct, indirect band gap, dielectric constant and refractive index are found. All the compounds are direct band gap excluding BP and BAs. The energy band gap of In1âxBxAsyP1ây quaternary alloys lattice matched to InP and BeS substrates is computed. Finally, the band gap of our materials is less than 3.1Â eV. Thus the In1âxBxAsyP1ây quaternary alloys may possibly be used in visible light devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Science in Semiconductor Processing - Volume 36, August 2015, Pages 27-35
Journal: Materials Science in Semiconductor Processing - Volume 36, August 2015, Pages 27-35
نویسندگان
O. Nemiri, A. Boumaza, K. Boubendira, S. Ghemid, H. Meradji, F. El Haj Hassan,