کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1811352 | 1025592 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of doping V on the half-metallic and magnetic properties of Mn3Al intermetallic compound
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The effect of doping V on the electronic structure and magnetic properties of Mn3Al has been studied by density functional calculations. It is found that the V atoms for all the doped compounds prefer to enter into the B sites, and further they tend to enter into the (A, C) sites in Mn3Al. The calculations show that the alloys (Mn12−xVx)Al4 (x=0, 1, 2, 3, 4, 5, 6, 7) are ferrimagnetic whereas V2MnAl (x=8) is nonmagnetic. The compounds of x=0, 1, 2, 3, 4 exhibit the half-metallic character, and the compound of x=5 shows a nearly half-metallicity since the Fermi level slightly touches the valence bands. For x=6 and 7, the spin polarization is 59% and 69%, respectively. The reason is mainly attributed to the behavior of Mn(A,C)/V(A,C) atoms.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 19, 1 October 2011, Pages 3726–3730
Journal: Physica B: Condensed Matter - Volume 406, Issue 19, 1 October 2011, Pages 3726–3730
نویسندگان
Q.F. Li, C.H. Yang, J.L. Su,