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Magnetic Properties of Embedded Rh Clusters in Ni Matrix

Published online by Cambridge University Press:  15 February 2011

Zhi-Qiang Li
Affiliation:
Institute for Materials Research, Tohoku University, Sendai 980-77, Japan
Yuichi Hashi
Affiliation:
Hitachi Tohoku Software Ltd., Research and Development Center, Sendai 980, Japan
Jing-Zhi Yu
Affiliation:
Institute for Materials Research, Tohoku University, Sendai 980-77, Japan
Kaoru Ohno
Affiliation:
Institute for Materials Research, Tohoku University, Sendai 980-77, Japan
Yoshiyuki Kawazoe
Affiliation:
Institute for Materials Research, Tohoku University, Sendai 980-77, Japan
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Abstract

The electronic structure and magnetic properties of rhodium clusters with sizes of 1 - 43 atoms embedded in the nickel host are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Rh atom in Ni matrix is found to have magnetic moment of 0.45μB. Rh13 and Rhl 9 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is tha.t Rh43 cluster, which is bulk-like nonmagnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.

Type
Research Article
Copyright
Copyright © Materials Research Society 1995

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References

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