An Investigation of Half-Metallic Ferromagnets Behavior in Hg2CuTi-Type Heusler Alloy Ti2FeAl by Using GGA

Xiu De Yang; Bo Wu; Song Zhang

doi:10.4028/www.scientific.net/AMR.535-537.1291

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 535-537An Investigation of Half-Metallic Ferromagnets...

An Investigation of Half-Metallic Ferromagnets Behavior in Hg₂CuTi-Type Heusler Alloy Ti₂FeAl by Using GGA

Abstract:

By using generalized gradient approximation (GGA) scheme within the density functional theory (DFT), the electronic and magnetic properties of Hg₂CuTi-type Heusler alloy Ti₂FeAl were investigated. The results reveal that a 100% spin polarization appears at Fermi level (εF) in Ti₂FeAl, and is maintained during lattice range of 5.1Å~6.2Å. Ti₂FeAl is one of stable Half-Metallic Ferromagnets (HMF) with a spin-minority gap of 0.5 eV at εF and total magnetic moment of 1μB per unit cell. Our studies also indicate that the competition between RKKY-type indirect exchange and direct hybridization of d-electronic atoms plays a dominating role in determining the magnetism.

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Advanced Materials Research (Volumes 535-537)

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1291-1294

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https://doi.org/10.4028/www.scientific.net/AMR.535-537.1291

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June 2012

Authors:

Xiu De Yang, Bo Wu*, Song Zhang

Keywords:

Electronic Structure, Half-Metallicity, Magnetism

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