Half-metallic ferrimagnetism in the full-Heusler compound Co 2ScSb

Kervan S., Kervan N.

Intermetallics, vol.19, no.11, pp.1642-1645, 2011 (SCI-Expanded, Scopus) identifier

  • Publication Type: Article / Article
  • Volume: 19 Issue: 11
  • Publication Date: 2011
  • Doi Number: 10.1016/j.intermet.2011.07.004
  • Journal Name: Intermetallics
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1642-1645
  • Keywords: A. Magnetic intermetallics, E. ab-initio calculations, G. Magnetic applications
  • Ankara Haci Bayram Veli University Affiliated: No

Abstract

The AlCu2Mn-type structure is found to be preferable energy wise than the CuHg2Ti-type structure for the full-Heusler Co 2ScSb and exhibits half-metallic ferrimagnetism based on first-principles density-functional calculations. Calculations show that the total spin moment is 2 μB at the equilibrium lattice constant a0 = 6.21 , which agrees with the Slater-Pauling rule. The spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.38 eV, and the spin-flip gap is of 0.24 eV. Half-metallicity is stable for a wide range of lattice constants. © 2011 Elsevier Ltd. All rights reserved.