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  • 标题:Spin polarization in the phase diagram of a Li–Fe–S system
  • 本地全文:下载
  • 作者:Tsuyoshi Takami ; Tomonari Takeuchi ; Toshiharu Fukunaga
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2019
  • 卷号:9
  • 期号:1
  • 页码:1-7
  • DOI:10.1038/s41598-019-56244-x
  • 出版社:Springer Nature
  • 摘要:Divalent and trivalent states of Fe ions are known to be stable in inorganic compounds. We focus a novel Li x FeS 5 cathode, in which the Li content (x) changes from 2 to 10 by an electrochemical technique. As x increases from 2, a Pauli paramagnetic conductive Li 2 FeS 5 phase changes into a superparamagnetic insulating Li 10 FeS 5 phase. Density functional theory calculations suggest that Fe + ions in a high-x phase are responsible for ferromagnetic spin polarization. Reaching the monovalent Fe ion is significant for understanding microscopic chemistry behind operation as Li-ion batteries and the original physical properties resulting from the unique local structure.
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