کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1561026 | 1513926 | 2014 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study on the electronic structure and transport properties of Mn3Cu4Bi4
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موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study on the electronic structure and transport properties of Mn3Cu4Bi4 First-principles study on the electronic structure and transport properties of Mn3Cu4Bi4](/preview/png/1561026.png)
چکیده انگلیسی
Density functional calculations were used to elucidate the electronic structure and some transport properties of Mn3Cu4Bi4. The calculations results indicate that Mn3Cu4Bi4 compound possesses metallic character and has high carrier concentration. Moreover, Mn3Cu4Bi4 compound is a ferromagnetic material due to the exchange interaction of Mn-3d electrons. The Boltzmann kinetic transport theory was used to calculate the Seebeck coefficient with the constant relaxation time approximation. The result shows that the thermoelectric properties of Mn3Cu4Bi4 is isotropic and the Seebeck coefficient reaches 30.9 μV/K at 490 K when the chemical potential μ is â0.043 eV, which is higher than that of many metals. It is the first time to report the Seebeck coefficient of Mn3Cu4Bi4.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 83, 15 February 2014, Pages 12-15
Journal: Computational Materials Science - Volume 83, 15 February 2014, Pages 12-15
نویسندگان
Song Chen, Kefeng Cai, Chunlei Wang,