Magnetic properties of small Fe clusters: a nonorthogonal H amiltonian study |
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| Authors: | REN Yun SUN hou-qian WANG Bao-lin LUO You-hua WANG Guang-hou |
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| Affiliation: | 1. National Laboratory of Solid State Microstructure s and Department of Physics, Nanjing University, Nanjing 210093;Yancheng In stitute of Technology, Jiangsu 224003
2. National Laboratory of Solid State Microstructure s and Department of Physics, Nanjing University, Nanjing 210093 |
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| Abstract: | We calculate the magnetic properties of small FeN clusters(N=2～7,9,13,15) by using a parameterized Hubbard tight-binding sp d-band model Hamiltonian, with the parameters obtained from nonorthogonal Ham il tonian parameters. the average magnetic moments, and the spin-polarized charge distribution within clusters are in agreement with those obtained by first-prin ciple and tight-binding calculations. The effect of the nonorthogonal basis is discussed. |
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| Keywords: | FeN cluster Magnetism Hubbard model |
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