2017/02/13 by Da-Yong Liu, Zhe Sun, Liang-Jian Zou
Physics and Astronomy · #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.1088/1367-2630/aa5a71
published as New J. Phys. 19, 023028 (2017) · 16 pages, 8 figures; this article supersedes arXiv:1402.4711
arxiv created 2017/02/13 · arxiv updated 2017/02/14
The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2 valence state, i.e. there is electron doping to the FeSe layer, resulting in the shrinking of the Fermi surface (FS) pocket around Gamma and a strong suppression of dynamical spin susceptibility at M in comparison with the bulk FeSe compound. The ground state of the FeSe layer is a striped antiferromagnetic (SAFM) metal, while the (Li,Fe)OH layer displays a very weak localized magnetism, with an interlayer ferromagnetic (FM) coupling between the FeSe and intercalated (Li,Fe)OH layers. Moreover, the (Li,Fe)OH is more than a block layer; it is responsible for enhancing the antiferromagnetic (AFM) correlation in the FeSe layer through interlayer magnetic coupling. We propose that the magnetic spacer layer introduces a tuning mechanism for spin fluctuations associated with superconductivity in iron-based superconductors.