Zarhri, Z. and Abbassi, A. and Ez-Zahraouy, H. and El Amraoui, Y. and Benyoussef, A. and Kenz, A.E. (2015) Magnetic Properties of Transition Metal-Doped CdSe. Journal of Superconductivity and Novel Magnetism, 28 (7). pp. 2155-2160.

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In this paper, the electronic, structural, and magnetic properties of transition metal (TM) (V, Cr, Mn, Fe, Co, Ni, Cu)-doped CdSe are investigated using first-principles calculations within the density functional theory (DFT) and the local density approximation (LDA) in connection with the Korringa–Kohn–Rostoker coherent potential approximation (KKR–CPA) implemented in the AKAI MACHIKANEAMA code. The 3d level locations of majority spin of those magnetic ions are studied. The spin–spin interaction at low concentration between magnetic impurities leads to ferromagnetic behavior. While the increase of TM concentration beyond 10 leads to antiferromagnetic interactions between the magnetic ions, which suppress the ferromagnetism. Magnetic stability and Curie temperature are also calculated for different TM doping. And finally, two TMs are chosen to make a codoping in CdSe semiconductor material. © 2015, Springer Science+Business Media New York.

Item Type: Article
Uncontrolled Keywords: Calculations; Density functional theory; Doping (additives); Impurities; Ions; Local density approximation; Magnetic materials; Magnetic properties; Magnetism; Manganese; Materials properties; Semiconductor doping; Semiconductor materials; Transition metals, Ab initio calculations; Antiferro-magnetic interactions; Coherent potential approximation; Ferromagnetic behaviors; First-principles calculation; Low concentrations; Magnetic impurity; Magnetic stability, Ferromagnetism
Subjects: Materials Science
Divisions: SCIENTIFIC PRODUCTION > Materials Science
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:48

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