کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1616104 1516364 2012 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First principles studies of elastic, electronic and optical properties of chalcopyrite semiconductor ZnSnP2
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
First principles studies of elastic, electronic and optical properties of chalcopyrite semiconductor ZnSnP2
چکیده انگلیسی

The structural, elastic, electronic and optical properties of ZnSnP2 were investigated using first principles plane-wave pseudopotential method within local density approximation (LDA). The results on the basic physical parameters, such as the lattice constant, bulk modulus, pressure derivative of bulk modulus, Zener anisotropy factor, Poisson's ratio, Young's modulus and isotropic shear modulus were presented. Band structures and density of states were calculated and it was found that the crystal is a semiconductor with a direct energy band gap of about 1.06 eV for ZnSnP2. We have analysed the basic optical properties, such as dielectric function refractive index, extinction coefficient, the absorption coefficient, optical reflectivity and electron energy loss spectrum in the energy range 0–20 eV. The obtained results are in agreement with the available experimental and other theoretical values.


► We have examined elastic, electronic and optic properties of ZnSnP2.
► All calculations are calculated in chalco pyrite (BCT) crsytal structures.
► The calculated elastic constants satisfy mechanical stability conditions.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 529, 15 July 2012, Pages 1–7
نویسندگان
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