Spin polarization in the phase diagram of a Li–Fe–S system
Abstract Divalent and trivalent states of Fe ions are known to be stable in inorganic compounds. We focus a novel Li x FeS5 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 Li2FeS5 phase changes into a s...
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| Autores principales: | , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2019
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/6efb2585ffbf4464a461c257a314887a |
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| Sumario: | Abstract Divalent and trivalent states of Fe ions are known to be stable in inorganic compounds. We focus a novel Li x FeS5 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 Li2FeS5 phase changes into a superparamagnetic insulating Li10FeS5 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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