Electronic structure of phospho-olivines LixFePO4 (x=0,1) from soft-x-ray-absorption and -emission spectroscopies -: art. no. 184717

被引：79

作者：

Augustsson, A ^{[1
]}

Zhuang, GV

Butorin, SM

Osorio-Guillén, JM

Dong, CL

Ahuja, R

Chang, CL

Ross, PN

Nordgren, J

Guo, JH

机构：

[1] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA

[2] Uppsala Univ, Dept Phys, S-751201 Uppsala, Sweden

[3] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA

[4] Tamkang Univ, Dept Phys, Tamsui, Taiwan

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 18期

关键词：

D O I：

10.1063/1.2107387

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：9

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