 THE POSSIBILITY OF TWO MAGNETIC STATES IN Co19CLUSTERKeeyung Lee
Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 453-456 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. Date: 1996 Downloads: (external link) Related works: Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text Persistent link: https://EconPapers.repec.org/RePEc:wsi:srlxxx:v:03:y:1996:i:01:n:s0218625x96000814 Ordering information: This journal article can be ordered from DOI: 10.1142/S0218625X96000814 Access Statistics for this article Surface Review and Letters (SRL) is currently edited by S Y Tong More articles in Surface Review and Letters (SRL) from World Scientific Publishing Co. Pte. Ltd. |
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