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Register a new userFermi surface evolution and checker-board block-spin antiferromagnetism in $A_x$Fe$_{2-y}$Se$_{2}$
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We develop an effective multiorbital mean-field t-J Hamiltonian with realistic tight-binding and exchange parameters to describe the electronic and magnetic structures of iron-selenide based superconductors $A_x$Fe$_{2-y}$Se$_2$ for iron vacancy doping in the range $0 leq y leq 0.4$. The Fermi surface topology extracted from the spectral function of angle-resolved photoemission spectroscopy (ARPES) experiments is adequately accounted for by a tight-binding lattice model with random vacancy disorder. Since introducing iron vacancies breaks the lattice periodicity of the stochiometric compound, it greatly affects the electronic band structure. With changing vacancy concentration the electronic band structure evolves, leading to a reconstruction of the Fermi surface topology. For intermediate doping levels, the realized stable electronic structure is a compromise between the solutions for the perfect lattice with $y=0$ and the vacancy stripe-ordered lattice with $y=0.4$, which results in a competition between vacancy random disorder and vacancy stripe order. A multiorbital hopping model is parameterized by fitting Fermi surface topologies to ARPES experiments, from which we construct a mean-field t-J lattice model to study the paramagnetic and antiferromagnetic (AFM) phases of K$_{0.8}$Fe$_{1.6}$Se$_2$. In the AFM phase the calculated spin magnetization of the t-J model leads to a checker-board block-spin structure in good agreement with neutron scattering experiments and {it ab}-{it initio} calculations.
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Recent discovery of superconducting (SC) ternary iron selenides has block antiferromagentic (AFM) long range order. Many experiments show possible mesoscopic phase separation of the superconductivity and antiferromagnetism, while the neutron experiment reveals a sizable suppression of magnetic moment due to the superconductivity indicating a possible phase coexistence. Here we propose that the observed suppression of the magnetic moment may be explained due to the proximity effect within a phase separation scenario. We use a two-orbital model to study the proximity effect on a layer of block AFM state induced by neighboring SC layers via an interlayer tunneling mechanism. We argue that the proximity effect in ternary Fe-selenides should be large because of the large interlayer coupling and weak electron correlation. The result of our mean field theory is compared with the neutron experiments semi-quantitatively. The suppression of the magnetic moment due to the SC proximity effect is found to be more pronounced in the d-wave superconductivity and may be enhanced by the frustrated structure of the block AFM state.
The superconducting and magnetic properties of phase-separated A$_x$Fe$_{2-y}$Se$_2$ compounds are known to depend on post-growth heat treatments and cooling profiles. This paper focusses on the evolution of microstructure on annealing, and how this influences the superconducting properties of Rb$_x$Fe$_2-y$Se$_2$ crystals. We find that the minority phase in the as-grown crystal has increased unit cell anisotropy (c/a ratio), reduced Rb content and increased Fe content compared to the matrix. The microstructure is rather complex, with two-phase mesoscopic plate-shaped features aligned along {113} habit planes. The minority phase are strongly facetted on the {113} planes, which we have shown to be driven by minimising the volume strain energy introduced as a result of the phase transformation. Annealing at 488K results in coarsening of the mesoscopic plate-shaped features and the formation of a third distinct phase. The subtle differences in structure and chemistry of the minority phase(s) in the crystals are thought to be responsible for changes in the superconducting transition temperature. In addition, scanning photoemission microscopy has clearly shown that the electronic structure of the minority phase has a higher occupied density of states of the low binding energy Fe3d orbitals, characteristic of crystals that exhibit superconductivity. This demonstrates a clear correlation between the Fe-vacancy-free phase with high c/a ratio and the electronic structure characteristics of the superconducting phase.
We report a comprehensive angle-resolved photoemission spectroscopy study of the tridimensional electronic bands in the recently discovered Fe selenide superconductor (Tl,Rb)$_y$Fe$_{2-x}$Se$_2$ ($T_c=32$ K). We determined the orbital characters and the $k_z$ dependence of the low energy electronic structure by tuning the polarization and the energy of the incident photons. We observed a small 3D electron Fermi surface pocket near the Brillouin zone center and a 2D like electron Fermi surface pocket near the zone boundary. The photon energy dependence, the polarization analysis and the local-density approximation calculations suggest a significant contribution from the Se 4$p_z$ and Fe 3$d_{xy}$ orbitals to the small electron pocket. We argue that the emergence of Se 4$p_z$ states might be the cause of the different magnetic properties between Fe chalcogenides and Fe pnictides.
Structural phase separation in A$_x$Fe$_{2-y}$Se$_2$ system has been studied by different experimental techniques, however, it should be important to know how the electronic uniformity is influenced, on which length scale the electronic phases coexist, and what is their spatial distribution. Here, we have used novel scanning photoelectron microscopy (SPEM) to study the electronic phase separation in K$_x$Fe$_{2-y}$Se$_2$, providing a direct measurement of the topological spatial distribution of the different electronic phases. The SPEM results reveal a peculiar interconnected conducting filamentary phase that is embedded in the insulating texture. The filamentary structure with a particular topological geometry could be important for the high T$_c$ superconductivity in the presence of a phase with a large magnetic moment in A$_x$Fe$_{2-y}$Se$_2$ materials.
We have synthesized polycrystalline samples and single crystals of Fe(Te1-xSx)y, and characterized their properties. Our results show that the solid solution of S in this system is limited, < 30%. We observed superconductivity at ~ 9 K in both polycrystalline samples Fe(Te1-xSx)y with 0< x <= 0.3 and 0.86 <= y <= 1.0, and single crystals with the composition Fe(Te0.9S0.1)0.91, consistent with the recent report of Tc ~ 10 K superconductivity in the FeTe1-xSx polycrystalline samples with x = 0.1 and 0.2. Furthermore, our systematic studies show that the superconducting properties of this system sensitively depend on excess Fe at interstitial sites and that the excess Fe suppresses superconductivity. Another important observation from our studies is the coexistence of the superconducting phase and antiferromagnetism. Our analyses suggest that this phase coexistence may be associated with the random distribution of excess Fe and possibly occurs in the form of electronic inhomogeneity.
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