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We study the electronic structure of the SmFeAsO 1-x F x alloy by means of first-principle calculations. We find that, contrary to common believe, F-doping does not change the charge balance between electrons and holes free-carriers in SmFeAsO 1-x F x . For energies within a narrow energy range accross [Formula: see text], the effect of F-doping on the band structure dispersion is tiny in both the paramagnetic and stripe antiferromagnetic phase. The charge balance between the conducting FeAs-layer and the SmO 1-x F x charge reservoir layer is not influenced by the compositional change. The additional charge carried by fluorine, with respect to the oxygen, is compensated by a change in the oxidation state of the Sm ion from 3+  to 2+. A comparison with the SmFe 1-x Co x AsO system shows that such charge compensation by the Sm ion is not shared by donors substituting at the Fe site.

Anisotropy of transport and magnetic properties of parent compounds of iron based superconductors is a key ingredient of superconductivity. In this work, we investigate in-plane and out-of-plane properties, namely thermal, electric, thermoelectric transport and magnetic susceptibility in a high quality BaFe 2 As 2 single crystal of the 122 parent compound, using a combined experimental and theoretical approach. Combining the ab initio calculation of the band structure and the measured in-plane and out-of-plane resistivity, we evaluate the scattering rates which turn out to be strongly anisotropic and determined by spin excitations in the antiferromagnetic state. The observed anisotropy of thermal conductivity is discussed in terms of anisotropy of sound velocities which we estimate to be [Formula: see text]. Remarkably, we find that thermal conductivity is characterized by a sizeable electronic contribution at low temperature, which is ascribed to the high purity of our crystal.

By making a systematic study of the hydrogen-doped LaFeAsO system by means of dc resistivity, dc magnetometry, and muon-spin spectroscopy, we addressed the question of universality of the phase diagram of rare-earth-1111 pnictides. In many respects, the behaviour of LaFeAsO(1-x)H(x) resembles that of its widely studied F-doped counterpart, with H(-) realizing a similar (or better) electron doping in the LaO planes. In an x = 0.01 sample we found a long-range spin-density wave (SDW) order with TN = 119 K, while at x = 0.05 the SDW establishes only at 38 K and, below Tc = 10 K, it coexists at a nanoscopic scale with bulk superconductivity. Unlike the abrupt magnetic-superconducting transition found in the La-1111 compound, the presence of a crossover region makes the H-doped system qualitatively similar to other Sm-1111, Ce-1111, and Nd-1111 families.