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Register a new userExperimental determination of the microscopic origin of magnetism in parent iron pnictides
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Like high Tc cuprates, the newly discovered iron based superconductors lie in close proximity to a magnetically ordered parent phase. However, while the magnetic order in parent cuprates is known to derive from a spin-spin local superexchange interaction, a plethora of experiments including neutron scattering have so far been unable to conclusively resolve whether a local moment Heisenberg description applies in parent iron based compounds, or whether magnetism arises from a collective SDW order instability. These two alternatives can in principle be distinguished by measuring the low energy momentum-resolved bulk-representative electronic structure of the magnetically ordered phase. Using a combination of polarization dependent ARPES and STM, we have isolated the complete low-lying bulk representative electronic structure of magnetic SrFe2As2 with d-orbital symmetry specificity for the first time. Our results show that while multiple bands with different iron d-orbital character indeed contribute to charge transport, only one pair of bands with opposite mirror symmetries microscopically exhibit an itinerant SDW instability with energy scales on the order of 50 meV. The orbital resolved band topology below T_SDW point uniquely to a nesting driven band hybridization mechanism of the observed antiferromagnetism in the iron pnictides, and is consistent with an unusual anisotropic nodal-density-wave state. In addition, these results place strong constraints on many theories of pnictide superconductivity that require a strict local moment magnetism starting point.
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Within the framework of density functional theory we investigate the nature of magnetism in various families of Fe-based superconductors. (i) We show that magnetization of stripe-type antiferromagnetic order always becomes stronger when As is substituted by Sb in LaOFeAs, BaFe$_2$As$_2$ and LiFeAs. By calculating Pauli susceptibilities, we attribute the magnetization increase obtained after replacing As by Sb to the enhancement of an instability at $(pi,pi)$. This points to a strong connection between Fermi surface nesting and magnetism, which supports the theory of the itinerant nature of magnetism in various families of Fe-based superconductors. (ii) We find that within the family LaOFe$Pn$ ($Pn$=P, As, Sb, Bi) the absence of an antiferromagnetic phase in LaOFeP and its presence in LaOFeAs can be attributed to the competition of instabilities in the Pauli susceptibility at $(pi,pi)$ and $(0,0)$, which further strengthens the close relation between Fermi surface nesting and experimentally observed magnetization. (iii) Finally, based on our relaxed structures and Pauli susceptibility results, we predict that LaOFeSb upon doping or application of pressure should be a candidate for a superconductor with the highest transition temperature among the hypothetical compounds LaOFeSb, LaOFeBi, ScOFeP and ScOFeAs while the parent compounds LaOFeSb and LaOFeBi should show at ambient pressure a stripe-type antiferromagnetic metallic state.
A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te parent of the 11 family one has a transversal SDW and magnetic order of the interstitial iron with relatively high and localized magnetic moments. These two systems are strongly coupled one to another. For the grand parent of the iron-based superconductors FeAs one observes two mutually orthogonal phase-related transversal SDW on the iron sites. There are two sets of such spin arrangements due to two crystallographic iron sites. The FeAs exhibits the highest covalency among compounds studied, but it has still a metallic character.
We report Fe K beta x-ray emission spectroscopy study of local magnetic moments in various iron based superconductors in their paramagnetic phases. Local magnetic moments are found in all samples studied: PrFeAsO, Ba(Fe,Co)2As2, LiFeAs, Fe1+x(Te,Se), and A2Fe4Se5 (A=K, Rb, and Cs). The moment size varies significantly across different families. Specifically, all iron pnictides samples have local moments of about 1 $mu_B$/Fe, while FeTe and K2Fe4Se5 families have much larger local moments of ~2$mu_B$/Fe, ~3.3$mu_B$/Fe, respectively. In addition, we find that neither carrier doping nor temperature change affects the local moment size.
The experimental consequences of different order parameters in iron-based superconductors are theoretically analyzed. We consider both nodeless and nodal order parameters, with an emphasis on the $cos(k_x)cdot cos(k_y)$ nodeless order parameter recently derived by two of us. We analyze the effect of this order parameter on the spectral function, density of states, tunneling differential conductance, penetration depth, and the NMR spin relaxation time. This extended s-wave symmetry has line-zeroes in between the electron and hole pockets, but they do not intersect the two Fermi surfaces for moderate doping, and the superconductor is fully gapped. However, this suggests several quantitative tests: the exponential decay of the penetration depth weakens and the density of states reveals a smaller gap upon electron or hole doping. Moreover, the $cos(k_x) cdot cos(k_y)$ superconducting gap is largest on the smallest (hole) Fermi surface. For the $1/T_1$ NMR spin relaxation rate, the inter-band contribution is consistent with the current experimental results, including a (non-universal) $T^{3}$ behavior and the absence of a coherence peak. However, the intra-band contribution is considerably larger than the inter-band contributions and still exhibits a small enhancement in the NMR spin relaxation rate right below $T_c$ in the clean limit.
A growing list of experiments show orthorhombic electronic anisotropy in the iron pnictides, in some cases at temperatures well above the spin density wave transition. These experiments include neutron scattering, resistivity and magnetoresistance measurements, and a variety of spectroscopies. We explore the idea that these anisotropies stem from a common underlying cause: orbital order manifest in an unequal occupation of $d_{xz}$ and $d_{yz}$ orbitals, arising from the coupled spin-orbital degrees of freedom. We emphasize the distinction between the total orbital occupation (the integrated density of states), where the order parameter may be small, and the orbital polarization near the Fermi level which can be more pronounced. We also discuss light-polarization studies of angle-resolved photoemission, and demonstrate how x-ray absorption linear dichroism may be used as a method to detect an orbital order parameter.
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