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Half-Metallic Ferrimagnetism in the MnNbAl Full-Heusler Compound: a First-Principles Study.
- Source :
-
Journal of Superconductivity & Novel Magnetism . Jan2016, Vol. 29 Issue 1, p187-192. 6p. - Publication Year :
- 2016
-
Abstract
- A first-principles study of the electronic structure and magnetic properties of the Heusler compound Mn NbAl has been performed. The calculations have been performed by using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method. It is found that the AlCu Mn-type structure is preferable energy wise than the CuHg Ti-type structure and exhibits half-metallic ferrimagnetism. The calculated total magnetic moment of Mn NbAl is 2 μ at the equilibrium lattice constant of 6.005 Å for the AlCu Mn-type structure. The total spin magnetic moment obeys the Slater-Pauling rule and is based on mainly the Mn atoms. The spin-down electrons are metallic, but the spin-up bands are semiconductor with a gap of 0.37 eV, and the spin-flip gap is of 0.09 eV. The AlCu Mn-type Mn NbAl full-Heusler compound keeps 100 % of spin polarization for lattice constants ranging between 5.93 and 6.20 Å. The Curie temperature is estimated to be 994 K in the mean field approximation (MFA). [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 15571939
- Volume :
- 29
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Journal of Superconductivity & Novel Magnetism
- Publication Type :
- Academic Journal
- Accession number :
- 111903162
- Full Text :
- https://doi.org/10.1007/s10948-015-3228-x