Magnetic properties of Mn doped BN compound |
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| Authors: | A. Boukra A. Zaoui M. Ferhat |
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| Affiliation: | 1. Département de Physique, Faculté SESNV, Université Abdelhamid Ibn Badis de Mostaganem, Algeria;2. LGCgE (EA 4515) Lille Nord de France, Polytech’Lille, Université des Sciences et de la Technologie de Lille, Cité Scientifique, Avenue Paul Langevin, 59655 Villeneuve D’Ascq Cedex, France;3. Département de Physique, Université des Sciences et de la Technologie d’Oran, USTO, Oran, Algeria |
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| Abstract: | Electronic and magnetic properties of diluted B1−xMnxN alloys are calculated by means of the full potential linearized augmented plane wave (FP-LAPW) method and the generalized gradient approximation (GGA). A half-metallic state is predicted for a composition of 6.25%. The spin majority being metallic and minority being semiconducting. We found a total magnetic moment of 2 μB (Bohr-magnetons) per supercell, in agreement with the half-metallic behaviour. The main contribution of the cell magnetic moment is localized at the transition metal site Mn, with a local moment of 1.24 μB. |
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| Keywords: | BMnN Magnetic properties Density functional theory |
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