کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7999305 | 1516261 | 2015 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Stability, magnetic, and electronic properties of L21 and B2 phases in Co2MnAl Heusler alloy
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Using first-principles density functional theory based method we have investigated the stability, magnetic, and electronic properties of L21 and B2 phases in Co2MnAl Heusler alloy. The spin polarizations as well as the magnetizations are stable against small tetragonal distortions. The calculated Curie temperature TC of the L21 phase is 789 K which is about 60 K higher than that (TC = 723 K) of the B2 phase. The total magnetic moments of L21 and B2 phases under GGA scheme are about 4 μB in agreement with the experimental value while the moments under GGA + U scheme have large values and are very sensitive to the U parameter. Electronic structure calculations show that there is a energy gap in the minority spin states in the L21 phase and the gap disappears in the B2 phase. Not only the L21 phase but also the B2 phase exhibits relatively high values of the spin polarization ratio P as very low density of states at the Fermi level in the minority spin band. Our results agree with available experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 632, 25 May 2015, Pages 528-532
Journal: Journal of Alloys and Compounds - Volume 632, 25 May 2015, Pages 528-532
نویسندگان
Xingfeng Zhu, Enhai Jiang, Yafei Dai, Chenglin Luo,