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, cilt.883, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 883
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.jallcom.2021.160869
  • Dergi Adı: JOURNAL OF ALLOYS AND COMPOUNDS
  • Derginin Tarandığı İndeksler: 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
  • Anahtar Kelimeler: 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
  • Gazi Üniversitesi Adresli: Hayır

Özet

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 alpha, beta, and gamma type structures are considered. The gamma 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. (C) 2021 Elsevier B.V. All rights reserved.