Dresden 2011 – scientific programme
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MA: Fachverband Magnetismus
MA 63: Poster II (Surface Magnetism/ Magnetic Imaging/ Topological Insulators/ Spin Structures and Magnetic Phase Transitions/ Graphene/ Magnetic Thin Films/ Magnetic Semiconductors/ Magnetic Half-metals and Oxides/ Spin-dependent Transport/ Spin Excitations and Spin Torque/ Spin Injection and Spin Currents in Heterostructures/ Spintronics/ Magnetic Storage and Applications)
MA 63.44: Poster
Friday, March 18, 2011, 11:00–14:00, P2
Semiconducting (Half-Metallic) Ferromagnetism in Mn(Fe) Substituted Pt and Pd Nitrides — •Abdeslam Houari1, Samir Matar2, and Volker Eyert3 — 1Theoretical Physics Laboratory, Department of Physics, University of Bejaia, Bejaia 06000. Algeria — 2ICMCB, CNRS, Université de Bordeaux 1, 87 avenue du Docteur Albert Schweitzer, 33600, Pessac, France — 3Center for Electronic Correlations and Magnetism, Institut Fur Physik, Universitat Augsburg, 86135 Augsburg, Germany
Using first principles calculations as based on density functional theory, we propose a class of so far unexplored diluted ferromagnetic semiconductors and half-metals. Here, we study the electronic properties of recently synthesized 4d and 5d transition metal dinitrides. In particular, we address Mn- and Fe-substitution in PtN2 and PdN2. Structural relaxation shows that the resulting ordered compounds, Pt0.75(Mn,Fe)0.25N2 and Pd0.75(Mn,Fe)0.25N2, maintain the cubic crystal symmetry of the parent compounds. On substitution, all compounds exhibit long-range ferromagnetic order. While both Pt0.75Mn0.25N2 and Pd0.75Mn0.25N2 are semiconducting, Fe-substitution causes half-metallic behavior for both parent materials.