کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1561408 1513940 2013 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Lattice dynamics and thermal properties of CaxMg1−xS ternary alloys
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Lattice dynamics and thermal properties of CaxMg1−xS ternary alloys
چکیده انگلیسی

We present results of ab initio calculations concerning lattice dynamical and thermal properties of MgS, CaS and their ternary mixed crystals CaxMg1−xS in zinc-blende structure. Results for the phonon modes, dielectric constants, Fröhlich coupling parameter, polaron effective mass, entropy and heat capacities are given for CaxMg1−xS within a composition range 0–1. Generally good agreement is obtained between our results and data available in the literature. Other case, our results are predictions.


• Temperature dependence of entropy and heat capacities in CaxMg1−xS mixed crystals.
• Compositional dependence of optical phonon modes in CaxMg1−xS mixed crystals.
• Polaron and related properties in CaxMg1−xS mixed crystals.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 69, March 2013, Pages 148–152
نویسندگان
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