Phonon anomalies, orbital-ordering and electronic raman scattering in iron-pnictide Ca(Fe0.97Co0.03)2As2: temperature-dependent Raman study.

We report inelastic light scattering studies on Ca(Fe0.97Co0.03)2As2 in a wide spectral range of 120-5200 cm( - 1) from 5 to 300 K, covering the tetragonal to orthorhombic structural transition as well as magnetic transition at Tsm ~ 160 K. The mode frequencies of two first-order Raman modes B1g and Eg, both involving the displacement of Fe atoms, show a sharp increase below Tsm. Concomitantly, the linewidths of all the first-order Raman modes show anomalous broadening below Tsm, attributed to strong spin-phonon coupling. The high frequency modes observed between 400 and 1200 cm( - 1) are attributed to electronic Raman scattering involving the crystal field levels of d-orbitals of Fe(2+). The splitting between xz and yz d-orbital levels is shown to be ~25 meV, which increases as temperature decreases below Tsm. A broad Raman band observed at ~3200 cm( - 1) is assigned to two-magnon excitation of the itinerant Fe 3d antiferromagnet.

Anomalous superconducting state in LiFeAs implied by the 75As Knight shift measurement.

(75)As NMR investigation of a single crystal of superconducting LiFeAs is presented. The Knight shift and the in situ ac susceptibility measurements as a function of temperature and external field are indicative of two superconducting (SC) transition temperatures, each of which is associated with its own upper critical field. Strikingly, the Knight shift maintains its normal state value over a temperature range in the SC state before it drops abruptly, being consistent with spin-singlet pairing. Together with our previous NMR study, the anomalous SC state featuring the constant Knight shift is attributed to the extremely sensitive SC properties of LiFeAs, probably stemming from its proximity to a critical instability.

Probing the role of co substitution in the electronic structure of iron pnictides.

The role of Co substitution in the low-energy electronic structure of Ca(Fe(0.944)Co(0.056))(2)As(2) is investigated by resonant photoemission spectroscopy and density-functional theory. The Co 3d state center of mass is observed at 250 meV higher binding energy than that of Fe, indicating that Co possesses one extra valence electron and that Fe and Co are in the same oxidation state. Yet, significant Co character is detected for the Bloch wave functions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe(2)As(2) and the inadequacy of a rigid-band shift description.

Inelastic neutron-scattering measurements of incommensurate magnetic excitations on superconducting LiFeAs single crystals.

Magnetic correlations in superconducting LiFeAs were studied by elastic and by inelastic neutron-scattering experiments. There is no indication for static magnetic ordering, but inelastic correlations appear at the incommensurate wave vector (0.5±Î´,0.5-/+δ,0) with δ~0.07 slightly shifted from the commensurate ordering observed in other FeAs-based compounds. The incommensurate magnetic excitations respond to the opening of the superconducting gap by a transfer of spectral weight.