Coordination-driven magnetic-to-nonmagnetic transition in manganese-doped silicon clusters

V. Zamudio-Bayer, L. Leppert, K. Hirsch, A. Langenberg, J. Rittmann, M. Kossick, M. Vogel, R. Richter, A. Terasaki, T. Möller, B. V. Issendorff, S. Kümmel, J. T. Lau

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The interaction of a single manganese impurity with silicon is analyzed in a combined experimental and theoretical study of the electronic, magnetic, and structural properties of manganese-doped silicon clusters. The structural transition from exohedral to endohedral doping coincides with 3d electron delocalization and a quenching of high-spin states. For all geometric structures investigated, we find a correlation of the magnetic moment with the manganese coordination number and nearest-neighbor distance. This observation can be generalized to manganese point defects in bulk silicon, whose magnetic moments fall within the observed magnetic-to-nonmagnetic transition, and therefore react very sensitively to changes in the local geometry. The results indicate that high-spin states in manganese-doped silicon could be stabilized by an appropriate lattice expansion.

Original languageEnglish
Article number115425
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number11
Publication statusPublished - 19 Sept 2013
Externally publishedYes


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