Investigations of the Structural, Electronic, Magnetic, and Half-Metallic Behavior of Co(2)MnZ (Z = Al, Ge, Si, Ga) Full-Heusler Compounds

Dahmane F., Doumi B., MOĞULKOÇ Y., Tadjer A., Prakash D., Verma K. D., ...Daha Fazla

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, cilt.29, sa.3, ss.809-817, 2016 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 29 Sayı: 3
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1007/s10948-015-3357-2
  • Dergi Adı: JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.809-817
  • Anahtar Kelimeler: Heusler compounds, Electronic structure, Magnetic properties, Ab initio calculations, AB-INITIO, CO2MNX X, ALLOYS, COBALT, MN, FE, CR
  • Ankara Üniversitesi Adresli: Evet

Özet

The structural, electronic, and magnetic properties of the full-Heusler compounds Co(2)MnZ (Z = Al, Ge, Si, Ga) have been investigated using the first-principles calculations with the full-potential linear-augmented plane wave method within the density functional theory. The electronic structures and magnetic properties of the Co(2)MnZ (Z = Al, Ge, Si, Ga) compounds with both Hg2CuTi- and Cu2MnAl-type structures are studied. It is found that the calculated lattice constants are in good agreement with the theoretical values. Using the general gradient approximation, we observe that the Cu2MnAl-type structure is more stable than the Hg2CuTi type. The Co(2)MnZ (Z = Al, Ge, Si, Ga) compounds were half-metallic ferromagnets in the Cu2MnAl-type structure. The total magnetic moments of the Co(2)MnZ (Z = Al, Ge, Si, Ga) compounds in the Cu2MnAl-type structure were 4, 5, 5, and 4 mu (B,) respectively, which is in agreement with the Slater-Pauling rule, m = N (V)-24 Furthermore, the origin for the appearance of the half-metallic band gap in the Co(2)MnZ compound was also discussed which shows them to be promising materials for possible spintronics applications.