کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1816282 | 1025681 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of structural and electronic properties of different phases of GaAs
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study of structural and electronic properties of different phases of GaAs First-principles study of structural and electronic properties of different phases of GaAs](/preview/png/1816282.png)
چکیده انگلیسی
We present a theoretical investigation of structural and electronic properties of the four known structural phases of GaAs (zinc-blende, sc16, cinnabar and Cmcm). We used the full potential linearized augmented plane wave method, within local density approximation, and also within generalized gradient approximation for the exchange correlation potential. The lattice constants, bulk modulus and its pressure derivative are calculated for each of the four phases. The data obtained for the transition pressures between different phases are presented. Band structures and densities of states of the four phases are also given. The results are compared with previous calculations and with experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 373, Issue 1, 1 March 2006, Pages 16–22
Journal: Physica B: Condensed Matter - Volume 373, Issue 1, 1 March 2006, Pages 16–22
نویسندگان
H. Arabi, A. Pourghazi, F. Ahmadian, Z. Nourbakhsh,