کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1555243 1513257 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Stillinger–Weber parameters for In and N atoms
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Stillinger–Weber parameters for In and N atoms
چکیده انگلیسی

A Stillinger–Weber (SW) type empirical potential for InN is presented in order to realistically describe the atomic structures of InxGa1−xN alloys and to calculate the deformation induced by In-rich clusters in InGaN/GaN quantum wells. The SW parameters are optimized by fitting the lattice parameters and the elastic constants of InN in wurtzite and zinc-blende structure, and comparing the energy dependence of the atomic volume in the two configurations. With these parameters, the distribution of indium in random, ordered and cluster configurations of InGaN alloys is investigated. Bond lengths, atomic energies, formation enthalpies and local deformation are calculated and compared with the experimental values.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Superlattices and Microstructures - Volume 40, Issues 4–6, October–December 2006, Pages 464–469
نویسندگان
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