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THE POSSIBILITY OF TWO MAGNETIC STATES IN Co19CLUSTER

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  • KEEYUNG LEE

    (Department of Physics, Inha University, 402-751, Inchon, Korea)

Abstract

The possibility of more than one magnetic state has been explored for the face-centered-cubic Co19cluster using the local spin-density linear combination of the Gaussian orbital method. Fixed moment calculations were done and the converged states were used as an input potential to obtain self-consistent solutions. Two different magnetic states with the magnetic moment per atom of 1.00 μB and 2.05 μB were obtained. The high-spin moment state has lower energy and is considered the ground state, and the low spin moment a metastable state. The local magnetic moment of the center, first- and second-shell atoms are found to be 1.90, 1.64, and −0.72 μB respectively for the low spin state, and 1.87, 1.92, and 2.01 μB respectively for the high spin state. Considering that the center-site atom has shown slow convergence to bulk moment for other transition-metal clusters in previous studies, Co clusters are found to be exceptional as far as this property is concerned. Density of states (DOS) of the cluster and bulk have been compared after the cluster levels were Gaussian-broadened. The DOS similarity between cluster and bulk is also found to be reasonably good.

Suggested Citation

  • Keeyung Lee, 1996. "THE POSSIBILITY OF TWO MAGNETIC STATES IN Co19CLUSTER," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 3(01), pages 453-456.
    • Handle: RePEc:wsi:srlxxx:v:03:y:1996:i:01:n:s0218625x96000814
    DOI: 10.1142/S0218625X96000814
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