Half-metallic properties in the Fe2TiP full-Heusler compound

Kervan N., Kervan S.

Intermetallics, vol.37, pp.88-91, 2013 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 37
  • Publication Date: 2013
  • Doi Number: 10.1016/j.intermet.2013.02.005
  • Journal Name: Intermetallics
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.88-91
  • Keywords: A. Magnetic intermetallics, E. Ab-initio calculations, G. Magnetic applications
  • Ankara Haci Bayram Veli University Affiliated: No

Abstract

Electronic structure calculations based on density functional theory for the Fe2TiP Heusler compound have been performed using the self-consistent full-potential linearized augmented plane wave method. The AlCu2Mn-type structure is found to be preferable energy wise than the CuHg2Ti-type structure for the full-Heusler Fe2TiP and exhibits half-metallic ferrimagnetism. The total spin moment is 1 μB at the equilibrium lattice constant a0 = 5.65. The spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.38 eV. © 2013 Elsevier Ltd. All rights reserved.