High-T-C fully compensated ferrimagnetic semiconductors as spin-filter materials: the case of CrVXAl (X = Ti, Zr, Hf) Heusler compounds

Galanakis I., ÖZDOĞAN K., Sasioglu E.

JOURNAL OF PHYSICS-CONDENSED MATTER, vol.26, no.8, 2014 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 26 Issue: 8
  • Publication Date: 2014
  • Doi Number: 10.1088/0953-8984/26/8/086003
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Keywords: spin-filter materials, first principles calculations, Heusler compounds, magnetic semiconductors, BAND-STRUCTURE, STABILITY
  • Yıldız Technical University Affiliated: Yes


We extend our recent work on spin-filter materials (Galanakis et al 2013 Appl. Phys. Lett. 103 142404) to the case of CrVXAl (X = Ti, Zr, Hf) compounds, for which, using ab initio electronic structure calculations, we show that p-d hybridization leads to the formation of a fully compensated ferrimagnetic semiconducting state with moderate exchange splitting. The magnetism is of covalent-type and the very strong antiferromagnetic Cr-V exchange interactions lead to extremely high Curie temperature, T-C, values. Furthermore, all three compounds are thermodynamically and magnetically stable. The combination of very high T-C values with a zero total net magnetization makes them promising materials for spintronics applications.