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Structure and electronic properties of iron oxide clusters: A first principles study

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TABLE II. Valence electric charge 共Q兲 in e units and magnetic moments per atom 共␮兲 in ␮ B , for the cubic Fd3 ¯m, and monoclinic P2 /c structures of bulk magnetite.
TABLE IV. Valence electric charge and magnetic moment per atom for C33F. The units for charge and magnetization are e and
TABLE VI. Valence electric charge and magnetic moment per atom for C45F. The units of charge and magnetization are e and ␮ B , respectively
Figure 8 shows the charge distribution for the C113F cluster. Results reveal a charge and magnetic moment  reor-dering relative to the bulk
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