کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1518069 | 1511625 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
High pressure study of structural and electronic properties of magnesium telluride
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
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چکیده انگلیسی
The full-potential linear muffin-tin orbital method (FP-LMTO) within the local density approximation (LDA) is used to calculate the electronic band structures and the total energies of MgTe in its stable (NiAs-B8) and high pressure phases. The latter provide us with the ground state properties such us lattice parameter, bulk modulus and its pressure derivatives. The transition pressure at which this compound undergoes the structural phase transition from the NiAs to CsCl phase is calculated. The energy band gaps and their volume and pressure dependence in the stable NiAs-B8 phase are investigated. The ground state properties, the transition pressure are found to agree with the experimental and other theoretical results. The elastic constants at equilibrium in both NiAs and CsCl structure are also determined.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 67, Issue 8, August 2006, Pages 1668-1673
Journal: Journal of Physics and Chemistry of Solids - Volume 67, Issue 8, August 2006, Pages 1668-1673
نویسندگان
D. Rached, M. Rabah, R. Khenata, N. Benkhettou, H. Baltache, M. Maachou, M. Ameri,