Competition of XA and L2₁B ordering in Heusler alloys Mn₂CoZ (Z = Al, Ga, Si, Ge and Sb) and its influence on electronic structure

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• 作者：Yuepeng Xin^a ; Hongyue Hao^a ; Yuexing Ma^a ; Hongzhi Luo^a ; ^b ; ^{luo_hongzhi@163.com} ; Fanbin Meng^a ; Heyan Liu^a ; Enke Liu^b ; Guangheng Wu^b
• 关键词：Magnetic alloys ; Electronic structure ; Phase stability ; Ab-initio calculations
• 刊名：Intermetallics
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：80
• 期：Complete
• 页码：10-15
• 全文大小：1549 K
• 卷排序：80

文摘

L21B structure is energetically favored in some Mn2-based Heusler alloys. L21B ordering should be considered together with XA in inverse Heusler alloys. Half-metallicity is robust in Mn2CoZ (Z = Si, Ge, Sb). Large negative ΔE between XA and L21B helps to retain SGS character in Mn2CoAl.