Dresden 2014 – scientific programme

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MA: Fachverband Magnetismus

MA 2: Magnetic Clusters

MA 2.1: Talk

Monday, March 31, 2014, 09:30–09:45, HSZ 401

Coordination-driven magnetic-to-nonmagnetic transition in manganese doped silicon clusters — Vicente Zamudio-Bayer¹, •Linn Leppert², Konstantin Hirsch^1,3, Andreas Langenberg^1,3, Jochen Rittmann^1,3, Markus Kossick^1,3, Marlene Vogel^1,3, Robert Richter³, Akira Terasaki⁴, Thomas Möller³, Bernd von Issendorff⁵, Stephan Kümmel², and Tobias Lau¹ — ¹Institut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany — ²Theoretical Physics IV, University of Bayreuth, Germany — ³Institut für Optik und Atomare Physik, Technische Universität Berlin, Germany — ⁴Cluster Research Laboratory, Toyota Technological Institute, Futamata, Ichikawa, Chiba, Japan — ⁵Fakultät für Physik, Universität Freiburg, Germany

Using x-ray magnetic circular dichroism spectroscopy and non-empirical density functional theory we analyze the electronic, magnetic, and structural properties of manganese-doped silicon clusters. We find a correlation of the magnetic moment with the manganese coordination number and nearest-neighbor distance that indicates that high-spin states in manganese-doped silicon could be stabilized by an appropriate lattice expansion. We further discuss the necessity to correct for self-interaction errors in the underlying density functional approximation in order to predict the magnetic-to-nonmagnetic transition in accordance with experiment.