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تسجيل مستخدم جديدElectronic and Magnetic Properties of the New Iron -- Based Superconductor [Li$_{1-x}$Fe$_x$OH]FeSe
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We present the results of paramagnetic LDA band structure calculations: band dispersions, densities of states and Fermi surfaces, for the new iron based high-temperature superconductor LiOHFeSe. Main structural motif providing bands in the vicinity of the Fermi level is FeSe layer which is isostructural to the bulk FeSe prototype superconductor. The bands crossing the Fermi level and Fermi surfaces of the new compound are typical for other iron based superconductors. Experimentally it was shown that introduction of Fe ions into LiOH layer gives rise to ferromagnetic ordering of the Fe ions at T$_C$=10K. To study magnetic properties of [Li$_{0.8}$Fe$_{0.2}$OH]FeSe system we have performed LSDA calculations for $sqrt 5 times sqrt 5$ superlattice and found ferromagnetism within the Li$_4$Fe(OH) layer. To estimate the Curie temperature we obtained Fe-Fe exchange interaction parameters for Heisenberg model from our LSDA calculations, leading to theoretical value of Curie temperature 10.4K in close agreement with experiment.
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We report the phase diagram for the superconducting system (${^{7}}$Li${_{1-x}}$Fe${_{x}}$OD)FeSe and contrast it with that of (Li${_{1-x}}$Fe${_{x}}$OH)FeSe both in single crystal and powder forms. Samples were prepared via hydrothermal methods and
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The phenomenon of phase separation into antiferromagnetic (AFM) and superconducting (SC) or normal-state regions has great implication for the origin of high-temperature (high-Tc) superconductivity. However, the occurrence of an intrinsic antiferroma
gnetism above the Tc of (Li, Fe)OHFeSe superconductor is questioned. Here we report a systematic study on a series of (Li, Fe)OHFeSe single crystal samples with Tc up to ~41 K. We observe an evident drop in the static magnetization at Tafm ~125 K, in some of the SC (Tc < ~38 K, cell parameter c < ~9.27 {AA}) and non-SC samples. We verify that this AFM signal is intrinsic to (Li, Fe)OHFeSe. Thus, our observations indicate mesoscopic-to-macroscopic coexistence of an AFM state with the normal (below Tafm) or SC (below Tc) state in (Li, Fe)OHFeSe. We explain such coexistence by electronic phase separation, similar to that in high-Tc cuprates and iron arsenides. However, such an AFM signal can be absent in some other samples of (Li, Fe)OHFeSe, particularly it is never observed in the SC samples of Tc > ~38 K, owing to a spatial scale of the phase separation too small for the macroscopic magnetic probe. For this case, we propose a microscopic electronic phase separation. It is suggested that the microscopic static phase separation reaches vanishing point in high-Tc (Li, Fe)OHFeSe, by the occurrence of two-dimensional AFM spin fluctuations below nearly the same temperature as Tafm reported previously for a (Li, Fe)OHFeSe (Tc ~42 K) single crystal. A complete phase diagram is thus established. Our study provides key information of the underlying physics for high-Tc superconductivity.
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