Investigation of electronic structure and half-metallic ferromagnetic behavior with large half-metallic gap in Sr1-xVxO

Berber M., Doumi B., Mokaddem A., MOĞULKOÇ Y., Sayede A., Tadjer A.

JOURNAL OF COMPUTATIONAL ELECTRONICS, cilt.16, sa.3, ss.542-547, 2017 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 16 Sayı: 3
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1007/s10825-017-1038-z
  • Dergi Adı: JOURNAL OF COMPUTATIONAL ELECTRONICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.542-547
  • Anahtar Kelimeler: Electronic properties, p-d Exchange interaction, Magnetic moments, Half-metallic ferromagnetism, DESIGN, OXIDES, SRSE, SRO
  • Ankara Üniversitesi Adresli: Evet

Özet

In this study, we investigate the electronic structure and magnetic properties of V-doped rock-salt SrO as a Sr1-xVxO ternary compound at concentration x = 0.25 by the use of first-principle calculations of density functional theory using the full potential linearized augmented plane wave method. The electronic structures of Sr0.75V0.25O have a half-metallic character due to the metallic nature of majority-spin states and semiconducting features of minority-spin states. From results of the magnetic properties, we have found that the Sr0.75V0.25O has a total magnetic moment of 3 mu B and the p-d exchange coupling is ferromagnetic between V magnetic impurity and the host carriers of O atoms. The Sr0.75V0.25O compound exhibits a wide half-metallic gap of 1.00 eV; this factor is a fundamental characteristic of half-metallic ferromagnetic materials for spintronics applications.