Electronic, Magnetic and Optical Properties of TM (Ti, V, Cr, Mn and Co)-Doped Rare-Earth Nitride GdN: First-Principles Theory
- Laboratoire de la Matière Condensée et Sciences Interdisciplinaires (LaMCScI) (Morocco)
- Mohammed V University, Centre de Recherche en Énergie-Équipe des semi-conducteurs et technologie des capteurs d’environnement STCE, Faculty of Sciences (Morocco)
- MAScIR, Institute for Nanomaterials and Nanotechnologies (Morocco)
The half-metallic ferromagnetic behavior of rare-earth nitride Gd{sub 0.95} TM{sub 0.05}N (TM = Ti, V, Cr, Mn and Co), based on diluted magnetic semiconductors (DMSs), is investigated using the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA) within a framework of density functional theory (DFT). The energy difference between the ferromagnetic and disorder local moment states has been evaluated. The exchange interactions obtained from first-principles calculations resulted in ferromagnetic states with Curie temperatures within the ambient conditions. Moreover, the optical absorption spectra obtained by ab initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities.
- OSTI ID:
- 22776979
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Journal Name: Journal of Superconductivity and Novel Magnetism Journal Issue: 4 Vol. 31; ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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