Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8154488 | Journal of Magnetism and Magnetic Materials | 2017 | 20 Pages |
Abstract
Electronic structure, magnetic and optical properties of ZnO doped with single and double impurities Zn1âxCrxO, Zn1âxFexO, and Zn1â2xCrxFexO (x=0.03 and 0.06) are investigated using first-principles calculations. Based on the Korringa-Kohn-Rostoker method combined with the coherent potential approximation, we investigated the half-metallic ferromagnetic behavior of doubles impurities (Cr, Fe) doped ZnO. To support our results, we apply the self-interaction-corrected local density approximation (SIC-LDA) to study the electronic structure, optical and magnetic properties of Co-doped ZnO with doubles impurities (Cr, Fe) showing that the half-metallic ferromagnetic state still persists. The stability of the ferromagnetic state compared with the spin-glass state is investigated by comparing their total energies. The exchange interactions obtained from first principle calculations and used in a classical Ising model by a Monte Carlo approach resulted in ferromagnetic states with high Neel temperature.
Keywords
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
El Mehdi Salmani, Ayoub Laghrissi, Rachida Lamouri, Hamid Ez-Zahraouy, Abdelilah Benyoussef,