کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812090 | 1025607 | 2011 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Thermodynamic properties of OsB under high temperature and high pressure
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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: Thermodynamic properties of OsB under high temperature and high pressure Thermodynamic properties of OsB under high temperature and high pressure](/preview/png/1812090.png)
چکیده انگلیسی
The energy-volume curves of OsB have been obtained using the first-principles plane-wave ultrasoft-pseudopotential density functional theory (DFT) within the generalized gradient approximation (GGA) and local density approximation (LDA). Using the quasi-harmonic Debye model we first analyze the specific heat, the coefficients of thermal expansion as well as the thermodynamic Grüneisen parameter of OsB in a wide temperature range at high pressure. At temperature 300 K, the coefficients of thermal expansion αV by LDA and GGA calculations are 1.67Ã10â5 1/K and 2.01Ã10â5 1/K, respectively. The specific heat of OsB at constant pressure (volume) is also calculated. Meanwhile, we find that the Debye temperature of OsB increases monotonically with increasing pressure. The present study leads to a better understanding of how the OsB materials respond to pressure and temperature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3338-3341
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3338-3341
نویسندگان
Hai-Hua Chen, Zuo Li, Yan Cheng, Yan Bi, Ling-Cang Cai,