Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1606824 | Journal of Alloys and Compounds | 2016 | 6 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Hongzhi Luo, Yuepeng Xin, Bohua Liu, Fanbin Meng, Heyan Liu, Enke Liu, Guangheng Wu,