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Tunable Magnetism and Half-Metallic Stability of Half-Heusler Compound NiMn1-xNbxSb

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Abstract:

By using the first-principles calculations within the density functional theory (DFT), we investigate the electronic structure, magnetism and half-metallic stability of half-Heusler compound NiMn1-xNbxSb. The results showed that the lattice constants and magnetic moments per unit respectively follow the Vegard law and the Slater-Pauling rule well. The most stable half-metallicity occurs at doping concentration x=0.25 due to the Fermi level is situated the middle of the spin-down gap. Our studies also indicate that the competition of hybridization of d-electrons and RKKY-type magnetic coupling plays a dominating role in determining the magnetism.

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Advanced Materials, ICAMMP 2011 View Preview

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Periodical:

Advanced Materials Research (Volumes 415-417)

Pages:

1407-1410

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.415-417.1407

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Online since:

December 2011

Authors:

Qing Zhou, Bo Wu, Hong Kuan Yuan, Hong Chen

Keywords:

Electronic Structure, Half-Heusler Alloy, Half-Metallicity, Magnetism

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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