TY - JOUR
T1 - Coordination-driven magnetic-to-nonmagnetic transition in manganese-doped silicon clusters
AU - Zamudio-Bayer, V.
AU - Leppert, L.
AU - Hirsch, K.
AU - Langenberg, A.
AU - Rittmann, J.
AU - Kossick, M.
AU - Vogel, M.
AU - Richter, R.
AU - Terasaki, A.
AU - Möller, T.
AU - V. Issendorff, B.
AU - Kümmel, S.
AU - Lau, J. T.
PY - 2013/9/19
Y1 - 2013/9/19
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.88.115425
DO - 10.1103/PhysRevB.88.115425
M3 - Article
AN - SCOPUS:84884872677
SN - 1098-0121
VL - 88
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 11
M1 - 115425
ER -