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Register a new userSpin reorientation driven by the interplay between spin-orbit coupling and Hunds rule coupling in iron pnictides
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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.
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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.
The longitudinal in-plane magnetoresistance (LMR) has been measured in different Ba(Fe_(1-x)Co_x)2As2 single crystals and in LiFeAs. For all these compounds, we find a negative LMR in the paramagnetic phase whose magnitude increases as H^2. We show that this negative LMR can be readily explained in terms of suppression of the spin fluctuations by the magnetic field. In the Co-doped samples, the absolute value of the LMR coefficient is found to decrease with doping content in the paramagnetic phase. The analysis of its T dependence in an itinerant nearly antiferromagnetic Fermi liquid model evidences that the LMR displays a qualitative change of T variation with increasing Co content. The latter occurs at optimal doping for which the antiferromagnetic ground state is suppressed. The same type of analysis for the negative LMR measured in LiFeAs suggests that this compound is on the verge of magnetism.
We investigate the superconductivity of 3D Luttinger semimetals, such as YPtBi, where Cooper pairs are constituted of spin-3/2 quasiparticles. Various pairing mechanisms have already been considered for these semimetals, such as from polar phonons modes, and in this work we explore pairing from the screened electron-electron Coulomb repulsion. In these materials, the small Fermi energy and the spin-orbit coupling strongly influence how charge fluctuations can mediate pairing. We find the superconducting critical temperature as a function of doping for an s-wave order parameter, and determine its sensitivity to changes in the dielectric permittivity. Also, we discuss how order parameters other than s-wave may lead to a larger critical temperature, due to spin-orbit coupling.
We report on the influence of spin-orbit coupling (SOC) in the Fe-based superconductors (FeSCs) via application of circularly-polarized spin and angle-resolved photoemission spectroscopy. We combine this technique in representative members of both the Fe-pnictides and Fe-chalcogenides with ab initio density functional theory and tight-binding calculations to establish an ubiquitous modification of the electronic structure in these materials imbued by SOC. The influence of SOC is found to be concentrated on the hole pockets where the superconducting gap is generally found to be largest. This result contests descriptions of superconductivity in these materials in terms of pure spin-singlet eigenstates, raising questions regarding the possible pairing mechanisms and role of SOC therein.
Spin-orbit coupling (SOC) is essential in understanding the properties of 5d transition metal compounds, whose SOC value is large and almost comparable to other key parameters. Over the past few years, there have been numerous studies on the SOC-driven effects of the electronic bands, magnetism, and spin-orbit entanglement for those materials with a large SOC. However, it is less studied and remains an unsolved problem in how the SOC affects the lattice dynamics. We, therefore, measured the phonon spectra of 5d pyrochlore Cd2Os2O7 over the full Brillouin zone to address the question by using inelastic x-ray scattering (IXS). Our main finding is a visible mode-dependence in the phonon spectra, measured across the metal-insulator transition at 227 K. We examined the SOC strength dependence of the lattice dynamics and its spin-phonon (SP) coupling, with first-principle calculations. Our experimental data taken at 100 K are in good agreement with the theoretical results obtained with the optimized U = 2.0 eV with SOC. By scaling the SOC strength and the U value in the DFT calculations, we demonstrate that SOC is more relevant than U to explaining the observed mode-dependent phonon energy shifts with temperature. Furthermore, the temperature dependence of the phonon energy can be effectively described by scaling SOC. Our work provides clear evidence of SOC producing a non-negligible and essential effect on the lattice dynamics of Cd2Os2O7 and its SP coupling.
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