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Register a new userEvidence of the isoelectronic character of F doping in SmFeAsO(1-x)F(x): a first-principles investigation
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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 across E_F, 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.
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We report the Hall resistivity, $rho_{xy}$ of polycrystalline SmFeAsO$_{1-x}$F$_{x}$ for four different fluorine concentrations from the onset of superconductivity through the collapse of the structural phase transition. For the two more highly-doped samples, $rho_{xy}$ is linear in magnetic field up to 50 T with only weak temperature dependence, reminiscent of a simple Fermi liquid. For the lightly-doped samples with $x<0.15$, we find a low temperature regime characterized $rho_{xy}(H)$ being both non-linear in magnetic field and strongly temperature dependent even though the Hall angle is small. The onset temperature for this non-linear regime is in the vicinity of the structural phase (SPT)/spin density wave (SDW) transitions. The temperature dependence of the Hall resistivity is consistent with a thermal activation of carriers across an energy gap. The evolution of the energy gap with doping is reported.
We report the theoretical study of the flux-lattice melting in the novel iron-based superconductor $LaO_{0.9}F_{0.1}FeAs$ and $LaO_{0.925}F_{0.075}FeAs$. Using the Hypernetted-Chain closure and an efficient algorithm, we calculate the two-dimensional one-component plasma pair distribution functions, static structure factors and direct correlation functions at various temperatures. The Hansen-Verlet freezing criterion is shown to be valid for vortex-liquid freezing in type-II superconductors. Flux-lattice meting lines for $LaO_{0.9}F_{0.1}FeAs$ and $LaO_{0.925}F_{0.075}FeAs$ are predicted through the combination of the density functional theory and the mean-field substrate approach.
We probe the local quasiparticles density-of-states in micron-sized SmFeAsO$_{1-x}$F$_{x}$ single-crystals by means of Scanning Tunnelling Spectroscopy. Spectral features resemble those of cuprates, particularly a dip-hump-like structure developed at energies larger than the gap that can be ascribed to the coupling of quasiparticles to a collective mode, quite likely a resonant spin mode. The energy of the collective mode revealed in our study decreases when the pairing strength increases. Our findings support spin-fluctuation-mediated pairing in pnictides.
The electrical resistivity, crystalline structure and electronic properties calculated from the experimentally measured atomic positions of the compound SmFeAsO$_{0.81}$F$_{0.19}$ have been studied up to pressures ~20GPa. The correlation between the pressure dependence of the superconducting transition temperature (Tc) and crystallographic parameters on the same sample shows clearly that a regular FeAs$_{4}$ tetrahedron maximizes Tc, through optimization of carrier transfer to the FeAs planes as indicated by the evolution of the electronic band structures.
We present uSR investigations on SmFeAsO_1-xF_x showing coexistence of magnetic order and superconductivity only in a very narrow F-doping range. The sharp crossover between the two types of order is similar to that observed in LaFeAsO_1-xF_x, suggesting a common behavior for the 1111 pnictides. The analysis of the muon asymmetry demonstrates that the coexistence must be nanoscopic, i.e. the two phases must be finely interspersed over a typical length-scale of few nm. In this regime both the magnetic and the superconducting transition temperatures collapse to very low values. Our data suggest a competition between the two order parameters
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