We investigate infrared manifestations of the pseudogap in the prototypical cuprate and pnictide superconductors: YBa2Cu3Oy and BaFe2As2 (Ba122) systems. We find remarkable similarities between the spectroscopic features attributable to the pseudogap
in these two classes of superconductors. The hallmarks of the pseudogap state in both systems include a weak absorption feature at about 500 cm-1 followed by a featureless continuum between 500 and 1500 cm-1 in the conductivity data and a significant suppression in the scattering rate below 700 - 900 cm-1. The latter result allows us to identify the energy scale associated with the pseudogap $Delta_{PG}$. We find that in the Ba122-based materials the superconductivity-induced changes of the infrared spectra occur in the frequency region below 100 - 200 cm-1, which is much lower than the energy scale of the pseudogap. We performed theoretical analysis of the scattering rate data of the two compounds using the same model which accounts for the effects of the pseudogap and electron-boson coupling. We find that the scattering rate suppression in Ba122-based compounds below $Delta_{PG}$ is solely due to the pseudogap formation whereas the impact of the electron-boson coupling effects is limited to lower frequencies. The magnetic resonance modes used as inputs in our modeling are found to evolve with the development of the pseudogap, suggesting an intimate correlation between the pseudogap and magnetism.
We have observed a softening of phonons and a structural phase transition in a superconducting Ba0.59K0.41BiO3 (Tc = 31 K) single crystal using elastic and inelastic neutron scattering measurements. The soft phonon occurs for the [111] transverse aco
ustic mode at the zone boundary. The phonon energies in this vicinity are found to continuously decrease with decreasing temperature from above room temperature to 200 K, where a structural phase transition from cubic to tetragonal symmetry occurs. The overall results are consistent with previous data that reported phonon softening and a (0.5, 0.5, 0.5) type superstructure in several Ba1-xKxBiO3 systems. However, we also find weak (0.5, 0.5, 0) type superstructure peaks that reveal an additional component to the modulation. No significant change related to the superconductivity was observed for the soft phonon energies or linewidths.
We present Wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF
in real space. This done in the space of unitary matrices that describe rotations of the Bloch bands at each k-point. As a result, Wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited to compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, Wannier90 is able to output MLWF for visualisation and other post-processing purposes. Wannier functions are already used in a wide variety of applications. These include analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory of polarisation; and as an accurate and minimal basis set in the construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations, and for efficient computation of material properties, such as the anomalous Hall coefficient. Wannier90 is freely available under the GNU General Public License from http://www.wannier.org/
