کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8155081 | 1524814 | 2016 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study](/preview/png/8155081.png)
چکیده انگلیسی
Using the first-principles density functional calculations, the structural, electronic and magnetic properties of the Fe2XAl (X=Cr, Mn, Ni) compounds in both the Hg2CuTi and Cu2MnAl-type structures were studied by the full-potential linearized augmented plane waves (FP-LAPW) method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA) where the results show that the Cu2MnAl-type structure is energetically more stable than the Hg2CuTi-type structure for the Fe2CrAl and Fe2MnAl compounds at the equilibrium volume. The full Heusler compounds Fe2XAl (X=Cr, Mn) are half-metallic in the Cu2MnAl-type structure. Fe2NiAl has a metallic character in both CuHg2Ti and AlCu2Mn-type structures. The total magnetic moments of the Fe2CrAl and Fe2MnAl compounds are 1.0 and 2.0 μB, respectively, which are in agreement with the Slater-Pauling rule Mtot=Ztotâ 24.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 407, 1 June 2016, Pages 167-174
Journal: Journal of Magnetism and Magnetic Materials - Volume 407, 1 June 2016, Pages 167-174
نویسندگان
F. Dahmane, Y. Mogulkoc, B. Doumi, A. Tadjer, R. Khenata, S. Bin Omran, D.P. Rai, G. Murtaza, Dinesh Varshney,