کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1563957 | 999627 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principles calculations of the structural and elastic properties of the filled tetrahedral compounds LiCdX (X = N, P, As)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
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چکیده انگلیسی
We have investigated the structural and elastic properties of the Nowotny–Juza filled tetrahedral compounds LiCdX (X = N, P, As) by using the full-potential linearized augmented plane wave method within the local density approximation. The α-phase for the studied materials, which is energetically favourable than the β one, is softer than the binary analogous compounds; InN, InP and InAs. The calculated sound speeds are quantitatively similar for the ternaries and their binary analogous compounds. These results are confirmed by the data obtained from the phonon spectra for LiCdP and LiCdAs, using the plane wave pseudopotential method.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 42, Issue 4, June 2008, Pages 579–583
Journal: Computational Materials Science - Volume 42, Issue 4, June 2008, Pages 579–583
نویسندگان
A. Mellouki, L. Kalarasse, B. Bennecer, F. Kalarasse,