Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8001030 | Journal of Alloys and Compounds | 2014 | 15 Pages |
Abstract
The electronic structures and magnetic properties of quaternary Heusler alloys CoFeTiZ (ZÂ =Â Si, Ge, Sn) have been studied using first-principles calculations. It has been found that CoFeTiSi and CoFeTiGe are half-metallic ferrimagnets, while CoFeTiSn is a quasi half-metallic ferrimagnet. The total moment in unit cell for CoFeTiZ (ZÂ =Â Si, Ge, Sn) alloys follows the Slater-Pauling behavior with the total number of valence electrons minus 24. The origin of the magnetism, band gap, and the effect of atom Z on the band gap and the half-metallicity of the alloys have been discussed in detail. The half-metallic property for CoFeTiSi and CoFeTiGe can be retained when their lattice constants are changed in a large range. CoFeTiSn alloy can transform from a quasi half-metallic to a half-metallic alloy by employing a proper compression stress.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Y.J. Zhang, Z.H. Liu, G.T. Li, X.Q. Ma, G.D. Liu,