Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials

Gencer A., Surucu Ö., Usanmaz D., Khenata R., Candan A., SÜRÜCÜ G.

Journal of Alloys and Compounds, vol.883, 2021 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 883
  • Publication Date: 2021
  • Doi Number: 10.1016/j.jallcom.2021.160869
  • Journal Name: Journal of Alloys and Compounds
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Public Affairs Index, Civil Engineering Abstracts
  • Keywords: Density functional theory, Electronic properties, Equiatomic quaternary Heusler compounds, Ferromagnetic, Half-metallic, Magnetic properties
  • Ankara Yıldırım Beyazıt University Affiliated: No

Abstract

Equiatomic quaternary Heusler compounds (EQHCs) are very promising materials for spintronic applications due to their excellent electronic and magnetic properties. In this study, structural, electronic, magnetic, mechanic, and dynamic properties of TiVFeZ (Z=Al, Si, Ge) EQHCs are investigated. Three nonequivalent structural configurations of α, β, and γ type structures are considered. The γ is defined as the most stable phase for all these compounds and has a half-metallic character. The predicted Curie temperatures of TiVFeAl, TiVFeSi, and TiVFeGe compounds are about 488 K, 256 K, and 306 K, respectively. We also show that TiVFeZ (Z=Al, Si, Ge) have thermodynamic, dynamic, and mechanical stabilities. The presented results reveal that these compounds are potential materials for spintronics applications.