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By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector ($pi$, $pi$, $pi$) while it is reduced by quantum fluctuations due to the coupling between weakly and strongly frustrated bands.
Many of the iron pnictides have strongly anisotropic normal-state characteristics, important for the exotic magnetic and superconducting behavior these materials exhibit. Yet, the origin of the observed anisotropy is unclear. Electronically driven ne
While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many compounds
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The double-spin model has an on-site Hundss coupling and inter-site interactions extending to second neighbors (inter- and intra-orbital) on the squ
Quantum criticality in iron pnictides involves both the nematic and antiferromagnetic degrees of freedom, but the relationship between the two types of fluctuations has yet to be clarified. Here we study this problem in the presence of a small extern
Charge, spin and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A_{1g} As-phonon resonance in the different polarization symmetries of Raman spectroscopy when