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Register a new userElectronic structure and exotic exchange splitting in spin-density-wave states of BaFe$_2$As$_2$
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The magnetic properties in the parent compounds are often intimately related to the microscopic mechanism of superconductivity. Here we report the first direct measurements on the electronic structure of a parent compound of the newly discovered iron-based superconductor, BaFe$_2$As$_2$, which provides a foundation for further studies. We show that the energy of the spin density wave (SDW) in BaFe$_2$As$_2$ is lowered through exotic exchange splitting of the band structure, rather than Fermi surface nesting of itinerant electrons. This clearly demonstrates that a metallic SDW state could be solely induced by interactions of local magnetic moments, resembling the nature of antiferromagnetic order in cuprate parent compounds.
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We present a comprehensive infrared spectroscopic study of lattice dynamics in the pnictide parent compound BaFe$_2$As$_2$. In the tetragonal structural phase, we observe the two degenerate symmetry-allowed in-plane infrared active phonon modes. Following the structural transition from the tetragonal to orthorhombic phase, we observe splitting into four non-degenerate phonon modes and a significant phonon strength enhancement. These detailed data allow us to provide a physical explanation for the anomalous phonon strength enhancement as the result of anisotropic conductivity due to Hunds coupling.
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture, the density of states at the Fermi energy is only weakly doping dependent and that the main effect of doping is a change in the relative sizes of the electron and hole Fermi surfaces as required by Luttingers theory. This is a consequence of a change in As height with doping, in particular a shift of As towards Fe as holes are introduced in the Fe plane, as might be expected from simple ionic considerations. The main effect of doping is therefore a reduction in the degree of nesting of the Fermi surface. This provides a framework for understanding the approximate electron-hole symmetry in the phase diagrams of the Fe-As based superconductors.
Inelastic neutron scattering measurements on Ba(Fe$_{0.963}$Ni$_{0.037}$)$_2$As$_2$ manifest a neutron spin resonance in the superconducting state with anisotropic dispersion within the Fe layer. Whereas the resonance is sharply peaked at Q$_{AFM}$ along the orthorhombic a axis, the resonance disperses upwards away from Q$_{AFM}$ along the b axis. In contrast to the downward dispersing resonance and hour-glass shape of the spin excitations in superconducting cuprates, the resonance in electron-doped BaFe$_2$As$_2$ compounds possesses a magnon-like upwards dispersion.
We have systematically studied the low-temperature specific heat of the BaFe$_{2-x}$Ni$_x$As$_2$ single crystals covering the whole superconducting dome. Using the nonsuperconducting heavily overdoped x = 0.3 sample as a reference for the phonon contribution to the specific heat, we find that the normal-state electronic specific heats in the superconducting samples may have a nonlinear temperature dependence, which challenges previous results in the electron-doped Ba-122 iron-based superconductors. A model based on the presence of ferromagnetic spin fluctuations may explain the data between x = 0.1 and x = 0.15, suggesting the important role of Fermi-surface topology in understanding the normal-state electronic states.
A series of 122 phase BaFe$_{2-x}$Ni$_x$As$_2$ ($x$ = 0, 0.055, 0.096, 0.18, 0.23) single crystals were grown by self flux method and a dome-like Ni doping dependence of superconducting transition temperature is discovered. The transition temperature $T_c^{on}$ reaches a maximum of 20.5 K at $x$ = 0.096, and it drops to below 4 K as $x$ $geq$ 0.23. The negative thermopower in the normal state indicates that electron-like charge carrier indeed dominates in this system. This Ni-doped system provides another example of superconductivity induced by electron doping in the 122 phase.
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