کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7995748 | 1516206 | 2016 | 27 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (ZÂ =Â Si, Ge, Sn)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (ZÂ =Â Si, Ge, Sn) First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (ZÂ =Â Si, Ge, Sn)](/preview/png/7995748.png)
چکیده انگلیسی
The electronic structure and magnetic properties of CoRuFeZ (Z = Si, Ge, and Sn) quaternary Heusler compounds were investigated using the full-potential linearized augmented plane wave (FPLAPW) method in framework of the density functional theory (DFT). The results showed that CoRuFeZ (Z = Si, Ge, and Sn) compounds were stable in Y-type1 structure. By use the GGA-mBJ, the CoRuFeGe and CoRuFeSn compounds were true half-metallic (HM) ferromagnets. The CoRuFeSi had a nearly HM characteristic. The minority band gaps were 0.557 eV, 0.444 eV and 0.428 eV for CoRuFeSi, CoRuFeGe and CoRuFeSn, respectively. The total magnetic moments of CoRuFeGe and CoRuFeSn compounds were obtained 5 μB per formula unit, which were in agreement with Slater-Pauling rule Mtot = (Ztot â 24). CoFeTiSi alloy can transform from a nearly half-metallic to a half-metallic alloy by employing a little expansion stress (+1.725% relatively to the equilibrium lattice constant a0). The half-metalliciy characteristic exists in relatively wide ranges of 5.9-6.9 Ã
, 5.825-6.063Â Ã
and 5.921-7.187Â Ã
for CoRuFeSi, CoRuFeGe and CoRuFeSn compounds, respectively, which makes them promising candidates in spintronics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 687, 5 December 2016, Pages 211-220
Journal: Journal of Alloys and Compounds - Volume 687, 5 December 2016, Pages 211-220
نویسندگان
K. Benkaddour, A. Chahed, A. Amar, H. Rozale, A. Lakdja, O. Benhelal, A. Sayede,