Dresden 2011 – wissenschaftliches Programm
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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 63.65: Poster
Freitag, 18. März 2011, 11:00–14:00, P2
Bulk ordering and surface segregation for defects in NiO — •Martin Hoffmann1, Eero Nurmi2, Kalevi Kokko2, Arthur Ernst3, and Wolfram Hergert1 — 1Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, Betty-Heimann-Str. 7, D-06120 Halle, Germany — 2Department of Physics and Astronomy, University of Turku, FIN-20014 Turku, Finland — 3Max-Planck-Institut für Mikrostrukturphysik,Weinberg 2, D-06120 Halle, Germany
Ordering of structural defects in NiO oxide has been studied using a combination of ab initio calculations and Monte Carlo simulations. In the framework of the general perturbation method a Korringa-Kohn-Rostoker method is used to obtain for the defects the effective cluster interactions (ECI's) which are mapped on an Ising Model. With this model a Monte Carlo method is applied to simulate the ordering behaviour and obtain the thermodynamic properties. Due to the magnetic moment of the defects in NiO the magnetic properties are derived via a Heisenberg model.