کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1686250 1518762 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Development of partial-charge potential for GaN
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سطوح، پوشش‌ها و فیلم‌ها
پیش نمایش صفحه اول مقاله
Development of partial-charge potential for GaN
چکیده انگلیسی

Partial-charged potentials for GaN are systematically developed that describe a wide range of structural properties, where the reference data for fitting the potential parameters are taken from ab initial calculations or experiments. The present potential model provides a good fit to different structural geometries and high pressure phases of GaN. The high-pressure transition from wurtzite to rock-salt structure is correctly predicted yielding the phase transition pressure of about 55 GPa, and the calculated volume change at the transition is in good agreement with experimental data. The results are compared with those obtained by ab initio simulations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 250, Issues 1–2, September 2006, Pages 50–53
نویسندگان
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