کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1606824 | 1516228 | 2016 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Competition of L21 and XA structural ordering in Heusler alloys X2CuAl (XÂ =Â Sc, Ti, V, Cr, Mn, Fe, Co, Ni)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A competition between the conventional L21 ordering and inverse XA ordering has been observed in Heusler alloys X2CuAl (XÂ =Â Sc, Ti, V, Cr, Mn, Fe, Co, Ni). In X2CuAl, the site preference of Cu is strongly influenced by the crystal structure of pure X elements. When X element has a close-packed FCC or HCP structure (Sc, Ti, Co and Ni), Cu prefers entering the (14,14,14) position and forms the L21 structure, but when X has a BCC structure (V, Cr, Mn, Fe), Cu prefers entering the (12,12,12) position and forms the XA structure. So the crystal structure of pure X element should also be considered together with number of valence electrons when discussing the site preference in Heusler alloys. Mn2CuAl is found to be a spin gapless semiconductor (SGS) with fully-compensated total moment. Based on this, a possible rule to design SGS has been discussed. Finally, X2CuAl alloys all have a negative formation energy except for V2CuAl and Cr2CuAl.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 665, 25 April 2016, Pages 180-185
Journal: Journal of Alloys and Compounds - Volume 665, 25 April 2016, Pages 180-185
نویسندگان
Hongzhi Luo, Yuepeng Xin, Bohua Liu, Fanbin Meng, Heyan Liu, Enke Liu, Guangheng Wu,