کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9567310 | 1503713 | 2005 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
An empirical potential approach to structural stability of GaNxAs1âx thin films on GaAs(1Â 1Â 1)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: An empirical potential approach to structural stability of GaNxAs1âx thin films on GaAs(1Â 1Â 1) An empirical potential approach to structural stability of GaNxAs1âx thin films on GaAs(1Â 1Â 1)](/preview/png/9567310.png)
چکیده انگلیسی
Structural stability of GaNxAs1âx thin films coherently grown on GaAs(1 1 1) is systematically investigated based on an empirical potential, which incorporates electrostatic energies due to bond charges and ionic charges. Using the empirical potential, the system energies of zinc blende (ZB) and wurtzite (W) structured GaNxAs1âx thin films are calculated over the entire concentration range. The calculated results predict that the structural phase transition from ZB to W occurs at xc â¼Â 0.5, which differs from xc â¼Â 0.7 expected by the electrostatic energy contribution dominating W-ZB polytypism in end members such as GaN and GaAs. The difference between the values of xc is clarified in terms of difference in bond lengths distribution in ZB-GaNxAs1âx and W-GaNxAs1âx. Further calculations for interface structures between ZB- or W-GaNxAs1âx thin films and GaAs(1 1 1) substrate reveal that ZB-type stacking sequence is more favorable than W-type stacking sequence at the interface. Consequently, ZB-GaNxAs1âx thin films can be fabricated in the concentration range of x < 0.5 on the GaAs(1 1 1), whereas W-GaNxAs1âx thin films are formed with ZB-type stacking interface in the concentration range of x â¥Â 0.5.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 244, Issues 1â4, 15 May 2005, Pages 170-173
Journal: Applied Surface Science - Volume 244, Issues 1â4, 15 May 2005, Pages 170-173
نویسندگان
Tomonori Ito, Takashi Suda, Toru Akiyama, Kohji Nakamura,