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Register a new userObservation of charge accumulation and onsite Coulomb repulsion at transition metal impurities in the iron pnictides
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We report a combined valence band photoemission and Auger spectroscopy study of single crystalline Ca(Fe,Co)2As2 and Ba(Fe,TM)2As2 with TM=Ni or Cu. The valence band photoemission data show directly that the TM-states move to higher binding energies with increasing atomic number, contributing less and less to the states close to the Fermi level. Furthermore, the 3d8 final state of the LVV Auger decay, which is observed for Ni and Cu, unambiguously reveals the accumulation of charge at these impurities. We also show that the onsite Coulomb interaction on the impurity strongly increases when moving from Co over Ni to Cu. Our results quantify the impurity potentials and imply that the superconducting state is robust against impurity scattering.
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Transition-metal substitution in Fe pnictides leading to superconductivity is usually interpreted in terms of carrier doping to the system. We report on a density functional calculation of the local substitute electron density and demonstrate that substitutions like Co and Ni for Fe do not carrier dope but rather are isovalent to Fe. We find that the extra d electrons for Co and Ni are almost totally located within the muffin-tin sphere of the substituted site. We suggest that Co and Ni act more like random scatterers scrambling momentum space and washing out parts of the Fermi surface.
The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) to study how electronic correlations evolve in different chemically substituted iron pnictides. We find that correlations are intrinsically related to the effective filling of the correlated orbitals, rather than to the filling obtained by valence counting. Combined density functional theory (DFT) and dynamical mean-field theory (DMFT) calculations capture these effects, reproducing the experimentally observed trend in the correlation strength. The occupation-driven trend in the electronic correlation reported in our work supports the recently proposed connection between cuprate and pnictides phase diagrams.
Superconductivity in iron pnictides is studied by using a two-orbital Hubbard model in the large U limit. The Coulomb repulsion induces an orbital-dependent pairing between charge carriers. The pairing is found mainly from the scattering within the same Fermi pocket. The inter-pocket pair scatterings determine the symmetry of the superconductivity, which is extended s-wave at small Hunds coupling, and d-wave at large Hunds coupling and large U. The former is consistent with recent experiments of ARPES and Andreev reflection spectroscope.
We investigate the structural, electronic, and magnetic properties of the hypothetical compound BaFePn2 (Pn = As and Sb), which is isostructural to the parent compound of the high temperature superconductor LaFeAsO1-xFx. Using density functional theory, we show that the Fermi surface, electronic structure and the spin density wave instability of BaFePn2 are very similar to the Fe based superconductors. Additionally, there are very dispersive metallic bands of a spacer Pn layer, which are almost decoupled from FePn layer. Our results show that experimental study of BaFePn2 can test the role of charge and polarization fluctuation, importance of two dimensionality in mechanism of superconductivity.
We study the effect of interlayer Coulomb interaction in an electronic double layer. Assuming that each of the layers consists of a bipartite lattice, a sufficiently strong interlayer interaction leads to an interlayer pairing of electrons with a staggered order parameter. We show that the correlated pairing state is dual to the excitonic pairing state with uniform order parameter in an electron-hole double layer. The interlayer pairing of electrons leads to strong current-current correlations between the layers. We also analyze the interlayer conductivity and the fluctuations of the order parameter, which consists of a gapped and a gapless mode.
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