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KUANG Xiang-jun. Study on the Electronic and Magnetic Properties of MCo12 Clusters[J]. Journal of University of Electronic Science and Technology of China, 2005, 34(3): 336-339.
Citation: KUANG Xiang-jun. Study on the Electronic and Magnetic Properties of MCo12 Clusters[J]. Journal of University of Electronic Science and Technology of China, 2005, 34(3): 336-339.
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Study on the Electronic and Magnetic Properties of MCo12 Clusters

  • 1.

    Southwest University of Science and Technology,School of Science Sichuan Mianyang 610002

  • Received Date: 2004-12-30
  • Publish Date: 2005-06-15
  • The stability, electronic and magnetic properties of icosahedral Mco12 clusters are studied by using the discrete variational local-spin-density-function method, Where M=Ti,V,Cr,Mn,Fe,Co and Ni..our calculated results show that all the clusters have bond-length contraction and metallic character, all the clusters are magnetism and the valence-band width(VBW) becomes wider with the increase of atomic number.Some clusters(M=Ti,Mn and Co) have closed electronic shell while the others have open electronic shell and are expected to distort further.the results also indicated that the cluster moment is reduced by the substitution of central Co atom with an M atom and that the average moment per atom of all clusters is larger than that of the bulk Co.Our results compare well with the available experimental results.
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  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

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Study on the Electronic and Magnetic Properties of MCo12 Clusters

  • 1. Southwest University of Science and Technology,School of Science Sichuan Mianyang 610002
  • Received Date: 2004-12-30
  • Publish Date: 2005-06-15

Abstract: The stability, electronic and magnetic properties of icosahedral Mco12 clusters are studied by using the discrete variational local-spin-density-function method, Where M=Ti,V,Cr,Mn,Fe,Co and Ni..our calculated results show that all the clusters have bond-length contraction and metallic character, all the clusters are magnetism and the valence-band width(VBW) becomes wider with the increase of atomic number.Some clusters(M=Ti,Mn and Co) have closed electronic shell while the others have open electronic shell and are expected to distort further.the results also indicated that the cluster moment is reduced by the substitution of central Co atom with an M atom and that the average moment per atom of all clusters is larger than that of the bulk Co.Our results compare well with the available experimental results.

KUANG Xiang-jun. Study on the Electronic and Magnetic Properties of MCo12 Clusters[J]. Journal of University of Electronic Science and Technology of China, 2005, 34(3): 336-339.
Citation: KUANG Xiang-jun. Study on the Electronic and Magnetic Properties of MCo12 Clusters[J]. Journal of University of Electronic Science and Technology of China, 2005, 34(3): 336-339.
shu

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