کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1803837 | 1024634 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12
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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: Magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12 Magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12](/preview/png/1803837.png)
چکیده انگلیسی
The magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12 are calculated by the first-principles full-potential linearized augmented plane wave (FPLAPW) plus local orbital method. It is found that the local spin density approximation (LSDA) method appears more accurate than the generalized gradient approximation (GGA) method in calculating the electronic structures and optical properties of this compound. Furthermore, our calculated lattice constant and spin magnetic moments with the LSDA method are in overall better agreement with experiment. In contrast with recent experiment, our calculations are in good agreement with experimental reflectivity spectra and optical conductivity spectrum.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 320, Issue 21, November 2008, Pages 2591-2595
Journal: Journal of Magnetism and Magnetic Materials - Volume 320, Issue 21, November 2008, Pages 2591-2595
نویسندگان
Zheng-ze Cheng, Ze Cheng, Ming-hu Wu,