Half-metallic properties of the CuHg 2Ti-type Mn 2ZnSi full-Heusler compound

Kervan S., Kervan N.

Current Applied Physics, vol.13, no.1, pp.80-83, 2013 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 13 Issue: 1
  • Publication Date: 2013
  • Doi Number: 10.1016/j.cap.2012.06.018
  • Journal Name: Current Applied Physics
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.80-83
  • Keywords: Density functional theory, Half-metal, Heusler compounds, Spintronics
  • Ankara Haci Bayram Veli University Affiliated: No

Abstract

The half-metallic properties of novel CuHg 2Ti-type Mn 2ZnSi full-Heusler compound were examined by density functional theory (DFT) calculations. The electronic band structures and density of states of the Mn 2ZnSi compound show that spin-up electrons are metallic, but the spin-down bands are semiconductor with a gap of 0.48 eV, and the spin-flip gap is of 0.28 eV. The Mn 2ZnSi Heusler compound has a magnetic moment of 2 μ B at the equilibrium lattice constant a = 5.80 Å. The Mn 2ZnSi full-Heusler compound is ferrimagnetic and maintains the half-metallic character having 100% polarization for lattice constants ranging between 5.62 and 6.91 Å. © 2012 Elsevier B.V. All rights reserved.