کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5488247 | 1524076 | 2016 | 27 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principle study of mechanical stability and thermodynamic properties of anti-fluorite Li2O and Rb2O under pressure and temperature effect
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک اتمی و مولکولی و اپتیک
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The structural, elastic and thermodynamic properties of Li2O and Rb2O have been made using FP-APWÂ +Â lo method as implemented in the WIEN2k code. Some ground state properties such as lattice constant, bulk modulus, pressure derivative of the bulk modulus, and elastic constants are in good agreement with the available experimental results and theoretical data. Moreover, the temperature and pressure thermodynamic properties of Li2O and Rb2O, from 0 to 1200Â K are evaluated through the use of quasi-harmonic Debye model. Finally the thermodynamic quantities under high pressure and temperature are also calculated and discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Journal of Physics - Volume 54, Issue 5, October 2016, Pages 678-694
Journal: Chinese Journal of Physics - Volume 54, Issue 5, October 2016, Pages 678-694
نویسندگان
Kada Bidai, Mohammed Ameri, Ali Zaoui, Ibrahim Ameri, Yarub Al-Douri,