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Phonon splitting and anomalous enhancement of infrared-active modes in BaFe$_2$As$_2$

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 Added by Alexander Schafgans
 Publication date 2011
  fields Physics
and research's language is English




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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.



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We investigate coherent phonon oscillations of BaFe$_2$As$_2$ using optical pump-probe spectroscopy. Time-resolved optical reflectivity shows periodic modulations due to $A_{1g}$ coherent phonon of $c$-axis arsenic vibrations. Optical probe beams polarized along the orthorhombic $a$- and $b$-axes reveal that the initial phase of coherent oscillations shows a systematic deviation as a function of temperature, although these oscillations arise from the same $c$-axis arsenic vibrations. The oscillation-phase remains anisotropic even in the tetragonal structure, reflecting a nematic response of BaFe$_2$As$_2$. Our study suggests that investigation on the phase of coherent phonon oscillations in optical reflectivity can offer unique evidence of a nematic order strongly coupled to a lattice instability.
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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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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.
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 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.
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