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    Title: Electronic structure of phospho-olivines LixFePO4 (x=0,1) from soft-x-ray-absorption and -emission spectroscopies
    Authors: 張經霖;Chang, C. L.;Augustsson, A.;Zhuang, G. V.;Butorin, S. M.;Osorio-Guillén, J. M.;Dong, C. L.;Ahuja, R.;Ross, P. N.;Nordgren, J.;Guo, J. H.
    Contributors: 淡江大學物理學系
    Date: 2005-11-08
    Issue Date: 2009-12-31 10:26:22 (UTC+8)
    Publisher: College Park: American Institute of Physics (AIP)
    Abstract: The electronic structure of the phospho-olivine LixFePO4 was studied using soft-x-ray-absorption (XAS) and emission spectroscopies. Characteristic changes in the valence and conduction bands are observed upon delithation of LiFePO4 into FePO4. In LiFePO4, the Fe-3d states are localized with little overlap with the O-2p states. Delithiation of LiFePO4 gives stronger hybridization between Fe-3d states and O-2p states leading to delocalization of the O-2p states. The Fe L-edge absorption spectra yield “fingerprints” of the different valence states of Fe in LiFePO4 and FePO4. Resonant soft-x-ray-emission spectroscopy at the Fe L edge shows strong contributions from resonant inelastic soft x-ray scattering (RIXS), which is described using an ionic picture of the Fe-3d states. Together the Fe L-edge XAS and RIXS study reveals a bonding character of the Fe 3d-O2p orbitals in FePO4 in contrast to a nonbonding character in LiFePO4.
    Relation: The Journal of Chemical Physics 123(18), pp.184717(9pages)
    DOI: 10.1063/1.2107387
    Appears in Collections:[物理學系暨研究所] 期刊論文

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