کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812979 | 1025628 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Phase transition, elastic, thermodynamic properties of zinc-blend BeSe from first-principles
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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: Phase transition, elastic, thermodynamic properties of zinc-blend BeSe from first-principles Phase transition, elastic, thermodynamic properties of zinc-blend BeSe from first-principles](/preview/png/1812979.png)
چکیده انگلیسی
The structural phase transition, elastic, thermodynamics properties of BeSe in zinc-blende were investigated by performing first-principles calculations within generalized gradient approximation. The phase transition pressure Pt between the B3 phase and the B8 phase of BeSe was determined. The pressure dependencies of elastic constants, shear modulus, Young's modulus, and Poisson's ratio of BeSe are calculated. The thermodynamic properties of the zinc-blende structure BeSe are calculated by using the quasi-harmonic Debye model. The pressure and temperature dependencies of the heat capacity and the thermal expansion coefficient, as well as the Grüneisen parameter are investigated systematically in the ranges of 0–50 GPa and 0–1200 K.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 404, Issue 21, 15 November 2009, Pages 3935–3940
Journal: Physica B: Condensed Matter - Volume 404, Issue 21, 15 November 2009, Pages 3935–3940
نویسندگان
Fanjie Kong, Gang Jiang,