Deduction of the chemical state and the electronic structure of Nd2Fe14B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra
Deduction of the chemical state and the electronic structure of Nd2Fe14B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra
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从X射线光电子能谱核能级和价带谱推导Nd2Fe14B化合物的化学态和电子结构
DOI：
10.1063/1.4900732
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发表时间：
2014-10
影响因子：
3.2
通讯作者：
Shinichi Hirano
中科院分区：
文献类型：
--
作者：
Le Liang;Lanting Zhang;Limin Sun;Shinichi Hirano
Nd_2Fe_（14）B化合物是一种具有重要技术意义的化合物，对其化学态和电子结构的研究对于理解其优异磁性能的物理本质具有重要意义。由于稀土化合物表面易氧化，4f电子和B 2p电子的光电子截面小等特点，用X射线光电子能谱（XPS）研究稀土化合物具有重要意义和挑战性。Nd 2 Fe 14 B化合物中Fe和B的化学状态可以分别清楚地确定为0和−3。发现Nd_2Fe_（14）B化合物中的Nd与Nd_2O_3中的Nd相比具有接近+3的化学状态而不是+3。此外，通过对Nd_2Fe_（14）B化合物的价带谱与纯Fe的价带谱的比较，进一步明确了Nd、Fe和B对Nd_2Fe_（14）B化合物价带结构的贡献。首次报道了B的2p态和B的2s态的能级分别为11.2 eV和24.6 eV。在XPS芯能级谱和XPS价带谱中均能看到Nd 4f态的贡献。虽然Nd4f态与Fe3d态部分杂化，但Nd4f态主要局域在Nd2Fe14B化合物中。
Characterization of chemical state and electronic structure of the technologically important Nd2Fe14B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd2Fe14B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd2Fe14B compound can be clearly determined to be 0 and −3, respectively. The Nd in Nd2Fe14B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd2O3. In addition, by comparing the valence-band spectrum of Nd2Fe14B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd2Fe14B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd2Fe14B compound.
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影响因子：
3.2
作者：
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通讯作者：
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影响因子：
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通讯作者：
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