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Register a new userBreakdown of the Hunds Rule in CuFeAs
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The ground-state properties of CuFeAs were investigated by applying density functional theory calculations within generalized gradient approximation (GGA) and GGA+U. We find that the bicollinear antiferromagnetic state with antiparallel orbital magnetic moments on each iron which violates the Hunds rule is favored by the on-site Coulomb interaction, which is further stabilized by Cu vacancy. The magnetic ground state can be used to understand weak antiferromagnetism in CuFeAs observed experimentally. We argue that breakdown of the Hunds rule may be the possible origin for reduced magnetism in iron pnictides, rather than magnetic fluctuations induced by electronic correlations.
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A new class of high temperature superconductors based on iron and arsenic was recently discovered, with superconducting transition temperature as high as 55 K. Here we show, using microscopic theory, that the normal state of the iron pnictides at high temperatures is highly anomalous, displaying a Curie Weiss susceptibility and a linear temperature dependence of the resistivity. Below a coherence scale T*, the resistivity sharply drops and susceptibility crosses over to Pauli-like temperature dependence. Remarkably, the coherence-incoherence crossover temperature is a very strong function of the strength of the Hunds rule coupling J_Hund. On the basis of the normal state properties, we estimate J_Hund to be 0.35-0.4 eV. In the atomic limit, this value of J_Hund leads to the critical ratio of the exchange constants J_1/J_2~2. While normal state incoherence is in common to all strongly correlated superconductors, the mechanism for emergence of the incoherent state in iron-oxypnictides, is unique due to its multiorbital electronic structure.
In most magnetically-ordered iron pnictides, the magnetic moments lie in the FeAs planes, parallel to the modulation direction of the spin stripes. However, recent experiments in hole-doped iron pnictides have observed a reorientation of the magnetic moments from in-plane to out-of-plane. Interestingly, this reorientation is accompanied by a change in the magnetic ground state from a stripe antiferromagnet to a tetragonal non-uniform magnetic configuration. Motivated by these recent observations, here we investigate the origin of the spin anisotropy in iron pnictides using an itinerant microscopic electronic model that respects all the symmetry properties of a single FeAs plane. We find that the interplay between the spin-orbit coupling and the Hunds rule coupling can account for the observed spin anisotropies, including the spin reorientation in hole-doped pnictides, without the need to invoke orbital or nematic order. Our calculations also reveal an asymmetry between the magnetic ground states of electron- and hole-doped compounds, with only the latter displaying tetragonal magnetic states.
The theoretical understanding of the nematic state of iron-based superconductors and especially of FeSe is still a puzzling problem. Although a number of experiments calls for a prominent role of local correlations and place iron superconductors at the entrance of a Hund metal state, the effect of the electronic correlations on the nematic state has been theoretically poorly investigated. In this work we study the nematic phase of iron superconductors accounting for local correlations, including the effect of the Hunds coupling. We show that Hunds physics strongly affects the nematic properties of the system. It severely constraints the precise nature of the feasible orbital-ordered state and induces a differentiation in the effective masses of the zx=yz orbitals in the nematic phase. The latter effect leads to distinctive signatures in different experimental probes, so far overlooked in the interpretation of experiments. As notable examples the splittings between zx and yz bands at Gamma and M points are modified, with important consequences for ARPES measurements.
We combine transport, angle-resolved photoemission spectroscopy and scanning tunneling spectroscopy to investigate several low energy manifestations of the Hund coupling in a canonical FeSC family Li(Fe,Co)As. We determine the doping dependence of the coherent-incoherent crossover temperature and the quasi-particle effective mass enhancement in the normal state. Our tunneling spectroscopy result in the superconducting state supports the idea that superconductivity emerging from Hunds metal state displays a universal maximal superconducting gap vs transition temperature (2$Delta_{max}/k_{B}T_{c}$) value, which is independent of doping level and $T_{c}$.
We report in-plane resistivity ($rho$) and transverse magnetoresistance (MR) measurements in underdoped HgBa$_2$CuO$_{4+delta}$ (Hg1201). Contrary to the longstanding view that Kohlers rule is strongly violated in underdoped cuprates, we find that it is in fact satisfied in the pseudogap phase of Hg1201. The transverse MR shows a quadratic field dependence, $deltarho/rho_o=a H^{2}$, with $a(T)propto T^{-4}$. In combination with the observed $rhopropto T^2$ dependence, this is consistent with a single Fermi-liquid quasiparticle scattering rate. We show that this behavior is universal, yet typically masked in cuprates with lower structural symmetry or strong disorder effects.
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