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Effect of Co-Doping on Electronic and Magnetic Properties in Ti2NiAl Heusler Alloy

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Abstract:

By using local spin density approximation (LSDA) scheme within the density functional theory (DFT), the structure, magnetism and electronic properties of Co-doped Heusler alloy Ti2NiAl with Hg2CuTi- and Cu2MnAl-type structure are comprehensively investigated. The results revealed that whole of the doped alloys with Hg2CuTi-type structure are ground configurations and half-metallic. With the increase of Co-doped concentration, the lattice constants and total magnetic moments in per unit are changed linearly, and the discrepancies of total energy between Hg2CuTi- and Cu2MnAl structure are also enhanced. Analysis on density of states (DOS) revealed that the Fermi level should gradually move to high-energy orientation with increasing Co content due to stronger hybridization of d-electronic atoms.

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Periodical:

Advanced Materials Research (Volumes 602-604)

Pages:

575-578

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.602-604.575

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Online since:

December 2012

Authors:

Bo Wu, Xiu De Yang, Song Zhang

Keywords:

Electronic Structure, Half-Metallicity, Magnetic Property

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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