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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Abstract

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
Volume88
Issue number11
DOIs
Publication statusPublished - Sep 19 2013

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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    Zamudio-Bayer, V., Leppert, L., Hirsch, K., Langenberg, A., Rittmann, J., Kossick, M., Vogel, M., Richter, R., Terasaki, A., Möller, T., V. Issendorff, B., Kümmel, S., & Lau, J. T. (2013). Coordination-driven magnetic-to-nonmagnetic transition in manganese-doped silicon clusters. Physical Review B - Condensed Matter and Materials Physics, 88(11), [115425]. https://doi.org/10.1103/PhysRevB.88.115425