کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1515715 | 1511539 | 2014 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We investigate the pressure and site disorder effects on the half-metallicity and magnetic properties of the full-Heusler alloy Co2FeSi using first-principles density functional theory within the GGA and GGA+U schemes. The calculated lattice constant, bulk modulus and total magnetic moments are in excellent agreement with recent experiments. The volume compression leads to a slight increase of the minority band gap, i.e., the half-metallic properties of Co2FeSi can maintain under pressure. The disorder calculations reveal that Fe-Co type disorder significantly destroys the half-metallic character and reduces the spin polarization of Co2FeSi while disorder between Fe and Si can maintain half-metallic properties. Our results also show that the Fe-Co type disorder leads to degradation of the magnetism while the Fe-Si type disorder affects hardly the magnetism as observed in Co2FeSi.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 75, Issue 3, March 2014, Pages 391-396
Journal: Journal of Physics and Chemistry of Solids - Volume 75, Issue 3, March 2014, Pages 391-396
نویسندگان
Xingfeng Zhu, Yaxu Wang, Lu Wang, Yafei Dai, Chenglin Luo,