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arXiv · 1402.4711

Coexistence of localized and itinerant magnetism in newly discovered iron-selenide superconductor LiFeO2Fe2Se2

Da-Yong Liu·Xiang-Long Yu·Ya-Min Quan·Xiao-Jun Zheng·Liang-Jian Zou
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Abstract

The electronic structure and magnetism of LiFeO$_{2}$Fe$_{2}$Se$_{2}$ are investigated using the first-principle calculations. The ground state is N$\acute{e}$el antiferromagnetic (AFM) Mott insulating state for Fe1 with localized magnetism in LiFeO$_{2}$ layer and striped AFM metallic state for Fe2 with itinerant magnetism in Fe$_{2}$Se$_{2}$ layer, accompanied with a weak interlayer AFM coupling between Fe1 and Fe2 ions, resulting in a coexistence of localized and itinerant magnetism. Moreover, the layered LiFeO$_{2}$ is found to be more than an insulating block layer but responsible for enhanced AFM correlation in Fe$_{2}$Se$_{2}$ layer through the interlayer magnetic coupling. The interplay between the magnetisms of Fe1 and Fe2 introduces a control mechanism for spin fluctuations associated with superconductivity in iron-based superconductors.

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Da-Yong Liu, Xiang-Long Yu, Ya-Min Quan, Xiao-Jun Zheng, Liang-Jian Zou. 2014-02-19. Coexistence of localized and itinerant magnetism in newly discovered iron-selenide superconductor LiFeO2Fe2Se2. https://arxiv.org/abs/1402.4711

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