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Ferromagnetism in transition-metal doped ZnS
|Abdelaziz Lakdja 1, Habib Rozale 1, Abdelkader Lazreg 1, Pierre Ruterana 2|
1. Modelling and Simulation in Materials Science Laboratory (MSMSL), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
We report a first-principles investigation of the electronic properties of ZnXS in the hexagonal-wurtzite phase, where X = Cr, Mn, Fe and Co with 12.5% of concentration. The calculations are made by the full potential linearized augmented plane waves method (FP-LAPW) with the local spin density approximation (LSDA). we study the local density of states of the magnetic ions and the host semiconductor and the magnetic exchange interactions as a function of transition-metal ion. Our results show a half-metallic behavior for Cr, Fe and Co impurities while for Mn the material keeps its semiconducting behavior. The band structure calculations show d-dominated impurities bands in the gap, which hybridize strongly with the p-S states.
Presentation: Poster at E-MRS Fall Meeting 2009, Symposium E, by Abdelaziz Lakdja
See On-line Journal of E-MRS Fall Meeting 2009
Submitted: 2009-05-09 17:39 Revised: 2009-06-07 00:48