کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1812735 1025623 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Elastic and thermodynamic properties of the zinc-blende structure LiZnN under pressure
چکیده انگلیسی

The elastic and thermodynamic properties of the cubic zinc-blende (ZB) structure LiZnN under high pressure and temperature are investigated by using ab initio plane-wave pseudopotential density functional theory method within the generalized gradient approximation (GGA). The pressure and temperature dependences of the elastic modulus of the filled tetrahedral compounds LiZnN are presented. The calculated results are in excellent agreement with the available experimental data and other theoretical results. Finally, the thermodynamic properties of the zinc-blende structure LiZnN are predicted by using the quasi-harmonic Debye model., the heat capacity Cv, the thermal expansion α and the Grüneisen parameter γ on pressure P and temperature T are also obtained successfully in the ranges of 0–100 GPa and 0–2000 K.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 405, Issue 2, 15 January 2010, Pages 529–533
نویسندگان
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