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Are there nodes in LaFePO, BaFe$_2$(AsP)$_2$, and KFe$_2$As$_2$ ?

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 Added by Yunkyu Bang
 Publication date 2012
  fields Physics
and research's language is English
 Authors Yunkyu Bang




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We reexamined the experimental evidences for the possible existence of the superconducting (SC) gap nodes in the three most suspected Fe-pnictide SC compounds: LaFePO, BaFe$_2$(As$_{0.67}$P$_{0.33}$)$_2$, and KFe$_2$As$_2$. We showed that while the $T$-linear temperature dependence of the penetration depth $lambda(T)$ of these three compounds indicate extremely clean nodal gap superconductors, the thermal conductivity data $lim_{T,H rightarrow 0} kappa_S (H,T)/T$ unambiguously showed that LaFePO and BaFe$_2$(As$_{0.67}$P$_{0.33}$)$_2$ are extremely dirty, while KFe$_2$As$_2$ can be clean. This apparently conflicting experimental data casts a serious doubt on the nodal gap possibility on LaFePO and BaFe$_2$(As$_{0.67}$P$_{0.33}$)$_2$.



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We study the relation between the spin fluctuation and superconductivity in an heavily hole doped end material KFe$_2$As$_2$. We construct a five orbital model by approximately unfolding the Brillouin zone of the three dimensional ten orbital model obtained from first principles calculation. By applying the random phase approximation, we obtain the spin susceptibility and solve the linearized Eliashberg equation. The incommensurate spin fluctuation observed experimentally is understood as originating from interband interactions, where the multiorbital nature of the band structure results in an electron-hole asymmetry of the incommensurability in the whole iron-based superconductor family. As for superconductivity, s-wave and d-wave pairings are found to be in close competition, where the sign change in the gap function in the former is driven by the incommensurate spin fluctuations. We raise several possible explanations for the nodes in the superconducting gap of KFe$_2$As$_2$ observed experimentally.
Understanding magnetic interactions in the parent compounds of high-temperature superconductors forms the basis for determining their role for the mechanism of superconductivity. For parent compounds of iron pnictide superconductors such as $A$Fe$_2$As$_2$ ($A=$ Ba, Ca, Sr), although spin excitations have been mapped out throughout the entire Brillouin zone (BZ), measurements were carried out on twinned samples and did not allow for a conclusive determination of the spin dynamics. Here we use inelastic neutron scattering to completely map out spin excitations of $sim$100% detwinned BaFe$_2$As$_2$. By comparing observed spectra with theoretical calculations, we conclude that the spin excitations can be well described by an itinerant model with important contributions from electronic correlations.
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A series of 122 phase BaFe$_{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.
We have performed an angle-resolved photoemission spectroscopy study of BaCr$_2$As$_2$, which has the same crystal structure as BaFe$_2$As$_2$, a parent compound of Fe-based superconductors. We determine the Fermi surface of this material and its band dispersion over 5 eV of binding energy. Very moderate band renormalization (1.35) is observed for only two bands. We attribute this small renormalization to enhanced direct exchange as compared to Fe in BaFe$_2$As$_2$, and to a larger contribution of the $e_g$ orbitals in the composition of the bands forming the Fermi surface, leading to an effective valence count that is reduced by Fe $d$ - As $p$ hybridization.
We report an angle-resolved photoemission spectroscopy (ARPES) study of KFe$_2$As$_2$ and CsFe$_2$As$_2$, revealing the existence of a van Hove singularity affecting the electronic properties. As a result of chemical pressure, we find a stronger three-dimensionality in KFe$_2$As$_2$ than in CsFe$_2$As$_2$, notably for the 3$d_{z^2}$ states responsible for the small three-dimensional hole-like Fermi surface pocket reported by quantum oscillations. Supported by first-principles calculations, our ARPES study shows that the van Hove singularity previously reported in KFe$_2$As$_2$ moves closer to the Fermi level under negative chemical pressure. This observation, which suggests that the large density-of-states accompanying the van Hove singularity contributes to the large Sommerfeld coefficient reported for the AFe$_2$As$_2$ (A = K, Rb, Cs) series, is also consistent with the evolution of the inelastic scattering revealed by transport under external pressure, thus offering a possible interpretation for the origin of the apparent change in the superconducting order parameter under pressure. We find that the coherent spectral weight decreases exponentially upon increasing temperature with a characteristic temperature $T^*$. We speculate how the low-energy location of the van Hove singularity and the presence of a low-energy peak in the phonon density-of-states can relate to the high-temperature crossover observed in various electronic and thermodynamic quantities.
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