2014/02/19 by Da-Yong Liu, Dayong Liu, Xiang-Long Yu +11 · 1 citation
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Iron-based superconductors research #Magnetic Properties of Alloys #Rare-earth and actinide compounds #Strongly Correlated Electrons (cond-mat.str-el) #Superconductivity (cond-mat.supr-con) #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.48550/arxiv.1402.4711
5 pages, 7 figures
arxiv created 2014/02/19 · openalex publication_date 2014/02/19 · arxiv updated 2014/02/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The electronic structure and magnetism of LiFeO2Fe2Se2 are investigated using the first-principle calculations. The ground state is N\acuteeel antiferromagnetic (AFM) Mott insulating state for Fe1 with localized magnetism in LiFeO2 layer and striped AFM metallic state for Fe2 with itinerant magnetism in Fe2Se2 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 LiFeO2 is found to be more than an insulating block layer but responsible for enhanced AFM correlation in Fe2Se2 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.