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The effect of Sn substitution on the Al sites in full Heusler compound Fe2VAl

Authors :
Bendouma Doumi
Abdelkader Tadjer
S. Bin Omran
D. P. Rai
Rabah Khenata
Xiaotian Wang
F. Dahmane
Source :
Indian Journal of Physics. 92:1403-1411
Publication Year :
2018
Publisher :
Springer Science and Business Media LLC, 2018.

Abstract

A first-principles method has been employed to determine the electronic, magnetic and structural characteristics of the full-Heusler alloys Fe2VAl with Sn doping. All the calculations were performed by using a computational code based on full-potential linearized augmented plane wave method called WIEN2k. The electron exchange–correlation is treated by the generalized gradient approximation within a scheme developed by Perdew, Burke and Ernzerhof (PBE-GGA). The electronic band structures of Fe2VAl1−xSnx (x = 0, 0.25, 0.50, 0.75) compounds show that the majority-spin (spin-up) exhibits a metallic characteristic, whereas the minority-spin (spin-dn) have an energy band gap. Our calculations predict that Fe2VAl1−xSnx compounds are half-metallic ferromagnets with an integer value of magnetic moment, 0, 1, 2, and 3 μB, respectively. Our findings suggest that these materials are potential candidates for manufacturing spintronic devices.

Details

ISSN :
09749845 and 09731458
Volume :
92
Database :
OpenAIRE
Journal :
Indian Journal of Physics
Accession number :
edsair.doi...........b470626916dbcde516e469eccc825c44
Full Text :
https://doi.org/10.1007/s12648-018-1243-z