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, and J. T. Lau

Phys. Rev. B 88, 115425 – Published 19 September 2013

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 3 $d$ 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.

Received 20 February 2013

DOI:https://doi.org/10.1103/PhysRevB.88.115425

Authors & Affiliations

V. Zamudio-Bayer^1,2,*, L. Leppert^3,*,†, K. Hirsch^1,2, A. Langenberg^1,2, J. Rittmann^1,2, M. Kossick^1,2, M. Vogel^1,2, R. Richter², A. Terasaki^4,5, T. Möller², B. v. Issendorff⁶, S. Kümmel³, and J. T. Lau^1,‡

¹Institut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Straße 15, 12489 Berlin, Germany
²Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany
³Theoretische Physik IV, Universität Bayreuth, 95440 Bayreuth, Germany
⁴Cluster Research Laboratory, Toyota Technological Institute, 717-86 Futamata, Ichikawa, Chiba 272-0001, Japan
⁵Department of Chemistry, Kyushu University, 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581, Japan
⁶Fakultät für Physik, Universität Freiburg, Stefan-Meier-Straße 21, 79104 Freiburg, Germany

^*L.L. and V.Z.B. contributed equally to this work.
^†linn.leppert@uni-bayreuth.de
^‡tobias.lau@helmholtz-berlin.de

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand

Issue

Vol. 88, Iss. 11 — 15 September 2013

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Physical Review B

covering condensed matter and materials physics