کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1596149 1515705 2008 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On the structural stability of ZnO phases
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
On the structural stability of ZnO phases
چکیده انگلیسی

Elastic properties of ZnO polymorphs: B4 (wurtzite), B3 (zinc-blende), B1 (rocksalt) phases, and yet experimentally undiscovered B2 (CsCl) phase were computed using the first-principles plane-wave pseudo-potential method in the scheme of density functional theory. The results obtained for the most stable B4 structure are in excellent agreement with the most recent experimental data obtained from single-crystal measurements with contactless Brillouin scattering spectroscopy. It is demonstrated that the hypothetical B2 phase of ZnO is mechanically unstable in ambient conditions.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 146, Issues 7–8, May 2008, Pages 324–329
نویسندگان
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