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Theoretical Investigation of Optical Conductivity in Ba [Fe(1-x)Co(x)]2 As2

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 Added by Antonio Sanna
 Publication date 2010
  fields Physics
and research's language is English




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We report on theoretical calculations of the optical conductivity of Ba [Fe(1-x)Co(x)]2 As2, as obtained from density functional theory within the full potential LAPW method. A thorough comparison with experiment shows that we are able to reproduce most of the observed experimental features, in particular a magnetic peak located at about 0.2 eV which we ascribe to antiferromagnetic ordered magnetic stripes. We also predict a large in-plane anisotropy of this feature, which agrees very well with measurements on detwinned crystals. The effect of Co doping as well as the dependence of plasma frequency on the magnetic order is also investigated.



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537 - T. Hajiri , T. Ito , M. Matsunami 2014
We observed the anisotropic superconducting-gap (SC-gap) structure of a slightly overdoped superconductor, Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ ($x=0.1$), using three-dimensional (3D) angle-resolved photoemission spectroscopy. Two hole Fermi surfaces (FSs) observed at the Brillouin zone center and an inner electron FS at the zone corner showed a nearly isotropic SC gap in 3D momentum space. However, the outer electron FS showed an anisotropic SC gap with nodes or gap minima around the M and A points. The different anisotropies obtained the SC gap between the outer and inner electron FSs cannot be expected from all theoretical predictions with spin fluctuation, orbital fluctuation, and both competition. Our results provide a new insight into the SC mechanisms of iron pnictide superconductors.
Using inelastic neutron scattering, we show that the onset of superconductivity in underdoped Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ coincides with a crossover from well-defined spin waves to overdamped and diffusive spin excitations. This crossover occurs despite the presence of long-range stripe antiferromagnetic order for samples in a compositional range from x=0.04-0.055, and is a consequence of the shrinking spin-density wave gap and a corresponding increase in the particle-hole (Landau) damping. The latter effect is captured by a simple itinerant model relating Co doping to changes in the hot spots of the Fermi surface. We argue that the overdamped spin fluctuations provide a pairing mechanism for superconductivity in these materials.
Resistivity, Hall effect and magnetoresistance have been investigated systematically on single crystals of Ba$_{1-x}$K$_x$Fe$_2$As$_2$ ranging from undoped to optimally doped regions. A systematic evolution of the quasiparticle scattering has been observed. It is found that the resistivity in the normal state of Ba$_{1-x}$K$_x$Fe$_2$As$_2$ is insensitive to the potassium doping concentration, which is very different from the electron doped counterpart Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$, where the resistivity at 300 K reduces to half value of the undoped one when the system is optimally doped. In stark contrast, the Hall coefficient R$_H$ changes suddenly from a negative value in the undoped sample to a positive one with slight K-doping, and it keeps lowering with further doping. We interpret this dichotomy due to the asymmetric scattering rate in the hole and the electron pockets with much higher mobility of the latter. The magnetoresistivity shows also a non-monotonic doping dependence indicating an anomalous feature at about 80 K to 100 K, even in the optimally doped sample, which is associated with a possible pseudogap feature. In the low temperature region, it seems that the resistivity has the similar values when superconductivity sets in disregarding the different T$_c$ values, which indicates a novel mechanism of the superconductivity. A linear feature of resistivity $rho_{ab}$ vs. $T$ was observed just above $T_c$ for the optimally doped sample, suggesting a quantum criticality.
We demonstrate that the thermopower (S) can be used to probe the spin fluctuations (SFs) in proximity to the quantum critical point (QCP) in Fe-based superconductors. The sensitivity of S to the entropy of charge carriers allows us to observe an increase of S/T in Ba(Fe(1-x)Co(x))2As2 close to the spin-density-wave (SDW) QCP. This behavior is due to the coupling of low-energy conduction electrons to two-dimensional SFs, similar to heavy-fermion systems. The low-temperature enhancement of S/T in the Co substitution range 0.02 < x < 0.1 is bordered by two Lifshitz transitions, and it corresponds to the superconducting region, where a similarity between the electron and non-reconstructed hole pockets exists. The maximal S/T is observed in proximity to the commensurate-to-incommensurate SDW transition, for critical x_c ~ 0.05, close to the highest superconducting T_c. This analysis indicates that low-T thermopower is influenced by critical spin fluctuations which are important for the superconducting mechanism.
We report the effect of 3 MeV proton irradiation on the suppression of the critical temperature $T_{c}$ in Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ single crystals at under-, optimal-, and over-doping levels. We find that $T_{c}$ decreases and residual resistivity increases monotonically with increasing dose. We also find no upturn in low-temperature resistivity in contrast with the $yen alpha$-particle irradiated NdFeAs(O,F), which suggests that defects induced by the proton irradiation behave as nonmagnetic scattering centers. The critical scattering rate for all samples estimated by three different ways is much higher than that expected in $s_{yen pm}$-pairing scenario based on inter-band scattering due to antiferro-magnetic spin fluctuation.
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