کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4742460 | 1641570 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Pressure dependence of harmonic and anharmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivity
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
علوم زمین و سیارات
فیزیک زمین (ژئو فیزیک)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Pressure dependence of harmonic and anharmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivity Pressure dependence of harmonic and anharmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivity](/preview/png/4742460.png)
چکیده انگلیسی
We report a recent first-principles calculation of harmonic and anharmonic lattice dynamics of MgO. The 2nd order harmonic and 3rd order anharmonic interatomic interaction terms are computed explicitly, and their pressure dependences are discussed. The phonon mode Grüneisen parameters derived based on our calculated 3rd order lattice anharmonicity are in good agreement with those estimated using the finite difference method. The implications for lattice thermal conductivity at high pressure are discussed based on a simple kinetic transport theory.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics of the Earth and Planetary Interiors - Volume 174, Issues 1–4, May 2009, Pages 33–38
Journal: Physics of the Earth and Planetary Interiors - Volume 174, Issues 1–4, May 2009, Pages 33–38
نویسندگان
Xiaoli Tang, Jianjun Dong,