کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8156224 1524844 2015 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi and Fe2MnSi0.5Al0.5
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi and Fe2MnSi0.5Al0.5
چکیده انگلیسی
In this work, first-principles calculations of the structural, electronic and magnetic properties of Heusler compounds Fe2MnAl, Fe2MnSi and alloy Fe2MnSi0.5Al0.5 are presented. We have applied the full-potential linearized augmented plane waves plus local orbitals (FP-L/APW+lo) method based on the density functional theory (DFT). For the exchange and correlation potential the generalized-gradient approximation (GGA) is used. It is shown that the calculated lattice constants and spin magnetic moments are in good agreement with the available theoretical and experimental data. The calculated atomic resolved densities of states of Fe2MnAl, Fe2MnSi indicate half-metallic behavior with vanishing electronic density of states for minority spin at the Fermi level, which yields perfect spin polarization while for Fe2MnSi0.5Al0.5 shows nearly half-metallic behavior with small spin-down electronic density of states at the Fermi level.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 377, 1 March 2015, Pages 211-214
نویسندگان
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