High Spin Magnetic Moments in All-3d-Metallic Co-Based Full Heusler Compounds

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Tas M., ÖZDOĞAN K., Şaşıoğlu E., Galanakis I.

Materials, cilt.16, sa.24, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 16 Sayı: 24
  • Basım Tarihi: 2023
  • Doi Numarası: 10.3390/ma16247543
  • Dergi Adı: Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, CAB Abstracts, Communication Abstracts, Compendex, INSPEC, Metadex, Veterinary Science Database, Directory of Open Access Journals, Civil Engineering Abstracts
  • Anahtar Kelimeler: ab-initio calculations, electronic structure, ferromagnetic materials, first-principles, Heusler compounds, Slater–Pauling rule
  • Yıldız Teknik Üniversitesi Adresli: Evet

Özet

We conduct ab-initio electronic structure calculations to explore a novel category of magnetic Heusler compounds, comprising solely (Formula presented.) transition metal atoms and characterized by high spin magnetic moments. Specifically, we focus on Co (Formula presented.) Heusler compounds, where Y and Z represent transition metal atoms such that the order of the valence is Co > Y > Z. We show that these compounds exhibit a distinctive region of very low density of minority-spin states at the Fermi level when crystallizing in the (Formula presented.) lattice structure. The existence of this pseudogap leads most of the studied compounds to a Slater–Pauling-type behavior of their total spin magnetic moment. Co (Formula presented.) FeMn is the compound that presents the largest total spin magnetic moment in the unit cell reaching a very large value of 9 (Formula presented.). Our findings suggest that these compounds are exceptionally promising materials for applications in the realms of spintronics and magnetoelectronics.