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

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

Journal of Alloys and Compounds, vol.883, 2021 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 883
  • Publication Date: 2021
  • Doi Number: 10.1016/j.jallcom.2021.160869
  • Title of Journal : Journal of Alloys and Compounds
  • Keywords: Equiatomic quaternary Heusler compounds, Density functional theory, Ferromagnetic, Half-metallic, Electronic properties, Magnetic properties, TOTAL-ENERGY CALCULATIONS, ALLOYS COFETIZ, 1ST-PRINCIPLES, STABILITY, SEMICONDUCTORS, TRANSPORT, MAGNETISM, PHASE, AL


© 2021 Elsevier B.V.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.