کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9781674 | 1511634 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Multiple lattice inversion approach to interatomic potentials for compound semiconductors
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A new approach to developing interatomic pair potentials for III-V compound semiconductors is presented. By using Chen-Möbius multiple lattice inversion technique, the interatomic potentials of GaAs are extracted from a set of ab initio total energy curves of zincblende GaAs as well as of some related virtual structures. The obtained potentials are then used to calculate static properties and phonon-dispersion curves of GaAs as a comparative study of the other similar work. The calculated static properties and the phonon-dispersion curves in the low frequency regime are in good agreement with experimental data. It turns out that these potentials give an overall description of the static and dynamic properties. It is expected that the simple pair potentials might be used to investigate the large-scale dynamic process.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 66, Issue 7, July 2005, Pages 1256-1263
Journal: Journal of Physics and Chemistry of Solids - Volume 66, Issue 7, July 2005, Pages 1256-1263
نویسندگان
Jin Cai, Xiaoyan Hu, Nanxian Chen,