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Register a new userTunneling spectroscopy for probing orbital anisotropy in iron pnictides
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Using realistic multi-orbital tight-binding Hamiltonians and the T-matrix formalism, we explore the effects of a non-magnetic impurity on the local density of states in Fe-based compounds. We show that scanning tunneling spectroscopy (STS) has very specific anisotropic signatures that track the evolution of orbital splitting (OS) and antiferromagnetic gaps. Both anisotropies exhibit two patterns that split in energy with decreasing temperature, but for OS these two patterns map onto each other under 90 degree rotation. STS experiments that observe these signatures should expose the underlying magnetic and orbital order as a function of temperature across various phase transitions.
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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.
We examine the optical conductivity in antiferromagnetic (AFM) iron pnictides by mean-field calculation in a five-band Hubbard model. The calculated spectra are well consistent with the in-plane anisotropy observed in the measurements, where the optical conductivity along the direction with the AFM alignment of neighboring spins is larger than that along the ferromagnetic (FM) direction in the low-energy region; however, that along the FM direction becomes larger in the higher-energy region. The difference between the two directions is explained by taking account of orbital characters in both occupied and unoccupied states as well as of the nature of Dirac-type linear dispersions near the Fermi level.
The origin of the nematic state is an important puzzle to be solved in iron pnictides. Iron superconductors are multiorbital systems and these orbitals play an important role at low energy. The singular $C_4$ symmetry of $d_{zx}$ and $d_{yz}$ orbitals has a profound influence at the Fermi surface since the $Gamma$ pocket has vortex structure in the orbital space and the X/Y electron pockets have $yz$/$zx$ components respectively. We propose a low energy theory for the spin--nematic model derived from a multiorbital Hamiltonian. In the standard spin--nematic scenario the ellipticity of the electron pockets is a necessary condition for nematicity. In the present model nematicity is essentially due to the singular $C_4$ symmetry of $yz$ and $zx$ orbitals. By analyzing the ($pi, 0$) spin susceptibility in the nematic phase we find spontaneous generation of orbital splitting extending previous calculations in the magnetic phase. We also find that the ($pi, 0$) spin susceptibility has an intrinsic anisotropic momentum dependence due to the non trivial topology of the $Gamma$ pocket.
X-ray emission and absorption spectroscopies are jointly used as fast probes to determine the evolution as a function of doping of the fluctuating local magnetic moments in K- and Cr- hole-doped BaFe2As2. An increase in the local moment with hole-doping is found, supporting the theoretical scenario in which a Mott insulating state that would be realized for half-filled conduction bands has an influence throughout the phase diagram of these iron-pnictides.
The role of Co substitution in the low-energy electronic structure of Ca(Fe$_{0.944}$Co$_{0.056}$)$_2$As$_2$ is investigated by resonant photoemission spectroscopy and density functional theory. The Co 3d-state center-of-mass is observed at 250 meV higher binding energy than Fes, indicating that Co posses one extra valence electron, and that Fe and Co are in the same 2+ oxidation state. Yet, significant Co character is detected for the Bloch wavefunctions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe2As2, and the inadequacy of a rigid-band shift description.
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