کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1561885 999574 2012 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
چکیده انگلیسی
► Oxynitrides electronic structure is provided using FP-(L)APW+lo method. ► The present calculation shows a good agreement with experiments and theoretical data. ► PW-PP and DFPT methods are employed to calculate the elastic properties and phonons. ► Si2N2O and Ge2N2O compounds are mechanically and dynamically stables. ► Elastic constants are reporte, the thermodynamic properties are deduced from phonons.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 53, Issue 1, February 2012, Pages 158-168
نویسندگان
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