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X-ray spectroscopy investigation of the electronic structure of SnSx and Li0.57SnS2 compounds

机译:X射线光谱研究SnSx和Li0.57SnS2化合物的电子结构

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Photoemission spectroscopy and X-ray emission spectroscopy have been used to investigate the role of the chemical environment on the electronic structure of SnS, SnS2, Sn2S3 and Li0.57SnS2 compounds. For this purpose, we have studied the Sn 3d(5/2) and S 2P(1/2,3/2) inner levels and the valence band by photoemission spectroscopy and the S 3p electronic distributions by X-ray emission spectroscopy. We have established fingerprints of the Sn-II and Sn-IV valencies in the compounds SnS and SnS2 and have shown that these are observed in Sn2S3 where it is known that both II and IV valencies are present. By comparing the data for Li0.57SnS2 with those for the other compounds, we have demonstrated that the Sn-II and Sn-IV signatures are also found in this compound. We have thus ascertained experimentally that Sn is partially reduced in SnS2 upon Li intercalation. In addition, the data have been found to be in excellent agreement with recent densities of electronic states calculations performed in the framework of the density functional theory for the same compounds. [References: 11]
机译:已使用光发射光谱法和X射线发射光谱法研究化学环境对SnS,SnS2,Sn2S3和Li0.57SnS2化合物的电子结构的作用。为此,我们通过光发射光谱学研究了Sn 3d(5/2)和S 2P(1 / 2,3 / 2)内部能级和价带,并通过X射线发射光谱学研究了S 3p电子分布。我们已经建立了化合物SnS和SnS2中Sn-II和Sn-IV价的指纹,并表明在已知II和IV价同时存在的Sn2S3中观察到了这些。通过将Li0.57SnS2的数据与其他化合物的数据进行比较,我们证明了在该化合物中也发现了Sn-II和Sn-IV标记。因此,我们通过实验确定了在嵌入Li的SnS2中Sn会部分还原。另外,已经发现该数据与在相同化合物的密度泛函理论的框架内进行的电子态最近密度的计算非常一致。 [参考:11]

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