Paper Title:
Electronic Structure and Magnetic Properties of Ga-Doped Heusler Alloy Co2FeSi
  Abstract

Using GGA+U (UCo =2.1eV, UFe=2.5eV) scheme based on the density functional theory (DFT), we investigate the electronic structure, magnetism and half-metallic stability of Ga-doped Heusler compound Co2FeSi. We find that the lattice constants and total magnetic moments in per unit respectively obey the Vegard’s rule and the Slater-Pauling rule well. The most stable half-metallicity occurs at doping concentration x=0.5 due to the Fermi level is situated slightly above the middle of the spin-down gap. Our studies also indicate that the RKKY-type exchange mechanism plays a dominating role in determining the magnetism of HMFs.

  Info
Periodical
Edited by
Han Zhao
Pages
1430-1434
DOI
10.4028/www.scientific.net/AMM.130-134.1430
Citation
Y. Feng, B. Wu, H. K. Yuan, H. Chen, "Electronic Structure and Magnetic Properties of Ga-Doped Heusler Alloy Co2FeSi", Applied Mechanics and Materials, Vols. 130-134, pp. 1430-1434, 2012
Online since
October 2011
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