75,754 research outputs found

    Spin-Driven Nematic Instability of the Multi-Orbital Hubbard Model: Application to Iron-Based Superconductors

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    Nematic order resulting from the partial melting of density-waves has been proposed as the mechanism to explain nematicity in iron-based superconductors. An outstanding question, however, is whether the microscopic electronic model for these systems -- the multi-orbital Hubbard model -- displays such an ordered state as its leading instability. In contrast to usual electronic instabilities, such as magnetic and charge order, this fluctuation-driven phenomenon cannot be captured by the standard RPA method. Here, by including fluctuations beyond RPA in the multi-orbital Hubbard model, we derive its nematic susceptibility and contrast it with its ferro-orbital order susceptibility, showing that its leading instability is the spin-driven nematic phase. Our results also demonstrate the primary role played by the dxyd_{xy} orbital in driving the nematic transition, and reveal that high-energy magnetic fluctuations are essential to stabilize nematic order in the absence of magnetic order.Comment: 8 pages, 6 figure

    Intertwined spin-orbital coupled orders in the iron-based superconductors

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    The underdoped phase diagram of the iron-based superconductors exemplifies the complexity common to many correlated materials. Indeed, multiple ordered states that break different symmetries but display comparable transition temperatures are present. Here, we argue that such a complexity can be understood within a simple unifying framework. This framework, built to respect the symmetries of the non-symmorphic space group of the FeAs/Se layer, consists of primary magnetically-ordered states and their vestigial phases that intertwine spin and orbital degrees of freedom. All vestigial phases have Ising-like and zero wave-vector order parameters, described in terms of composite spin order and exotic orbital-order patterns such as spin-orbital loop-currents, staggered atomic spin-orbit coupling, and emergent Rashba- and Dresselhaus-type spin-orbit interactions. Moreover, they host unusual phenomena, such as the electro-nematic effect, by which electric fields acts as transverse fields to the nematic order parameter, and the ferro-N\'eel effect, by which a uniform magnetic field induces N\'eel order. We discuss the experimental implications of our findings to iron-based superconductors and possible extensions to other correlated compounds with similar space groups.Comment: 19 pages, 7 figure

    Electronic and Magnetic Properties of 1T-TiSe2 Nanoribbons

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    Motivated by the recent synthesis of single layer TiSe2 , we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair- edged nanoribbons of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 nanoribbons have some distinctive properties. The electronic band gap of the nanoribbons decreases exponentially with the width and vanishes for ribbons wider than 20 Angstroms. For ultranarrow zigzag-edged nanoribbons we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and armchair edged ribbons have nonmagnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase nanoribbons of similar crystal structures.Comment: 8 pages, 9 figures, accepted paper on IOP 2D Material

    Weakly coupled s=1/2s = 1/2 quantum spin singlets in Ba3_{3}Cr2_{2}O8_{8}

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    Using single crystal inelastic neutron scattering with and without application of an external magnetic field and powder neutron diffraction, we have characterized magnetic interactions in Ba3_3Cr2_2O8_8. Even without field, we found that there exist three singlet-to-triplet excitation modes in (h,h,l)(h,h,l) scattering plane. Our complete analysis shows that the three modes are due to spatially anisotropic interdimer interactions that are induced by local distortions of the tetrahedron of oxygens surrounding the Jahn-Teller active Cr5+(3d1)^{5+} (3d^1). The strong intradimer coupling of J0=2.38(2)J_0 = 2.38(2) meV and weak interdimer interactions (Jinter0.52(2)|J_{\rm inter}| \leq 0.52(2) meV) makes Ba3_3Cr2_2O8_8 a good model system for weakly-coupled s=1/2s = 1/2 quantum spin dimers
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