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Phys. Rev. B 56, 11149–11154 (1997)

Polarized isomers of Na clusters and anomalous magnetic response

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C. Kohl, B. Fischer, and P.-G. Reinhard
Institut für Theoretische Physik, Universität Erlangen, Staudtstrasse 7, D-91058 Erlangen, Germany

Received 17 June 1997; published in the issue dated 1 November 1997

Spontaneously spin-polarized states of Na12 and Na16 are investigated using a spin-density-functional description of the valence electrons and local pseudopotentials for their coupling to the ionic cores. We find that both systems have low-lying polarized isomers. An anomalous temperature dependence of the magnetic response in terms of a magnetic susceptibility rising with temperature is the practical consequence of this spin isomerism.

© 1997 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.56.11149
DOI:
10.1103/PhysRevB.56.11149
PACS:
36.40.Cg, 36.40.Ei