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Band Structure Simulations of the Structural, Electronic, Magnetic, and Half-Metallic Features of the TiCoAlSn ( x = 0, 0.25, 0.50, 0.75, 1) Heusler Alloys.
- Source :
- Journal of Superconductivity & Novel Magnetism; Dec2016, Vol. 29 Issue 12, p3193-3199, 7p
- Publication Year :
- 2016
-
Abstract
- First-principles density functional theory (DFT) calculations with the generalized gradient approximation (GGA) have been performed to investigate electronic band structures and magnetic and half-metallic characteristic of TiCoAlSn ( x = 0, 0.25, 0.50, 0.75, 1). The optimized equilibrium lattice constants were found to be equal to 6.08 and 6.37 Å for TiCoAl and TiCoSn, respectively. These ternary Heusler compounds are found to be a complete half-metal with a total magnetic moment of 2 and 3 μ , respectively, which is in good compliance with the Slater-Pauling rule, M = Z − 18. The spin-polarized band structures and density of states (DOS) of the TiCoAlSn (0.25, 0.50, and 0.75) Heusler alloys confirm that they are half-metal due to the presence of the energy gap in the minority spin. Consequently, TiCoAlSn ( x = 0, 0.25, 0.50, 0.75, 1) alloys are predicted to be a promising candidate for the practical applications in spintronic devices. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 15571939
- Volume :
- 29
- Issue :
- 12
- Database :
- Complementary Index
- Journal :
- Journal of Superconductivity & Novel Magnetism
- Publication Type :
- Academic Journal
- Accession number :
- 120038379
- Full Text :
- https://doi.org/10.1007/s10948-016-3711-z