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:	Tsuyoshi Takami, Tomonari Takeuchi, Toshiharu Fukunaga
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/6efb2585ffbf4464a461c257a314887a
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spelling	oai:doaj.org-article:6efb2585ffbf4464a461c257a314887a2021-12-02T13:35:12ZSpin polarization in the phase diagram of a Li–Fe–S system10.1038/s41598-019-56244-x2045-2322https://doaj.org/article/6efb2585ffbf4464a461c257a314887a2019-12-01T00:00:00Zhttps://doi.org/10.1038/s41598-019-56244-xhttps://doaj.org/toc/2045-2322Abstract 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.Tsuyoshi TakamiTomonari TakeuchiToshiharu FukunagaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 9, Iss 1, Pp 1-7 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Tsuyoshi Takami Tomonari Takeuchi Toshiharu Fukunaga Spin polarization in the phase diagram of a Li–Fe–S system
description	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.
format	article
author	Tsuyoshi Takami Tomonari Takeuchi Toshiharu Fukunaga
author_facet	Tsuyoshi Takami Tomonari Takeuchi Toshiharu Fukunaga
author_sort	Tsuyoshi Takami
title	Spin polarization in the phase diagram of a Li–Fe–S system
title_short	Spin polarization in the phase diagram of a Li–Fe–S system
title_full	Spin polarization in the phase diagram of a Li–Fe–S system
title_fullStr	Spin polarization in the phase diagram of a Li–Fe–S system
title_full_unstemmed	Spin polarization in the phase diagram of a Li–Fe–S system
title_sort	spin polarization in the phase diagram of a li–fe–s system
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/6efb2585ffbf4464a461c257a314887a
work_keys_str_mv	AT tsuyoshitakami spinpolarizationinthephasediagramofalifessystem AT tomonaritakeuchi spinpolarizationinthephasediagramofalifessystem AT toshiharufukunaga spinpolarizationinthephasediagramofalifessystem
_version_	1718392679942848512

Spin polarization in the phase diagram of a Li–Fe–S system

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