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arXiv:1605.06410 · Physical review. B./Physical review. B

Long-range orders and spin/orbital freezing in the two-band Hubbard model

Karim Steiner, Shintaro Hoshino, Yusuke Nomura, Philipp Werner

Published Aug 3, 2016• 29 citations
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Abstract

We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter $J$ are obtained both for the model with rotationally invariant interaction and for the model with Ising-type anisotropy. For negative $J$, an intraorbital spin-singlet superconducting phase appears at low temperatures, while the normal state properties are characterized by an orbital-freezing phenomenon. This is the $\text{negative-}J$ analog of the recently discovered fluctuating-moment induced $s\text{-wave}$ spin-triplet superconductivity in the spin-freezing regime of multiorbital models with $J>0$.

DOI
10.1103/physrevb.94.075107

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We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter JJJ are obtained both for the model with rotationally invariant interaction and for the model with Ising-type anisotropy. For negative JJJ, an intraorbital spin-singlet superconducting phase appears at low temperatures, while the normal state properties are characterized by an orbital-freezing phenomenon. This is the negative-J\text{negative-}Jnegative-J analog of the recently discovered fluctuating-moment induced s-waves\text{-wave}s-wave spin-triplet superconductivity in the spin-freezing regime of multiorbital models with J>0J>0J>0.
The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band, and interaction parameters. We map out the phase diagrams within a random-phase-approximation spin- and charge-fluctuation approach, and find that while B1g{B}_{1g}B1g​ (${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$) and B2g{B}_{2g}B2g​ (dxy{d}_{xy}dxy​) pairing dominates in the absence of repulsive longer-range Coulomb interactions VNN{V}_{\mathrm{NN}}VNN​, the latter induces pairing in other symmetry channels, including, e.g., A2g{A}_{2g}A2g​ (ggg-wave), nodal A1g{A}_{1g}A1g​ (extended sss-wave), or nodal Eu{E}_{u}Eu​ (ppp-wave) spin-triplet superconductivity. At the lowest temperatures, transition boundaries in the phase diagrams between symmetry-distinct spin-singlet orders generate complex time-reversal symmetry broken superpositions. By contrast, we find that boundaries between singlet and triplet regions are characterized by first-order transitions. Finally, motivated by recent photoemission experiments, we have determined the influence of an additional explicitly attractive nearest-neighbor interaction, VNN<0{V}_{\mathrm{NN}}<0VNN​<0, on the superconducting gap structure. Depending on the electronic filling, such an attraction boosts Eu{E}_{u}Eu​ (ppp-wave) spin-triplet or B1g{B}_{1g}B1g​ (${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$) spin-singlet ordering.
We consider the coexistence of the Hund's-rule-exchange induced spin-triplet paired state with the antiferromagnetic ordering by starting from the extended Hubbard model for a doubly degenerate band.We use the density of states appropriate for the square lattice and treat the problem in the HartreeFock approximation.The temperature dependences of the superconducting gaps, the magnetic moment, and the chemical potential are presented.The free energy in the considered phase is evaluated, as well as the corresponding free energies in four additional phases: paramagnetic, ferromagnetic, superconducting of type A and superconducting of type A1 coexisting with ferromagnetism; they occur in the proper range of parameters: band lling n and the interaction parameters U/W and J/W .The low temperature values of the superconducting gaps and staggered magnetic moment are also analyzed as a function of band lling.
We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J-freezing crossover, with J=L+S, in the spin-orbit-coupled case. In the J-frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n=2 and n=4 the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n=4 and discuss the relevance of our results for real materials.
We investigate superconductivity in a two-orbital Hubbard model on a square lattice by applying fluctuation exchange approximation. In the present model, the symmetry of the two orbitals are assumed to be that of an sss orbital. Then, we find that an sss-wave spin-triplet orbital-antisymmetric state and a ppp-wave spin-singlet orbital-antisymmetric state appear when Hund's rule coupling is large. These states are prohibited in a single-orbital model within states with even frequency dependence, but allowed for multiorbital systems. We also discuss pairing symmetry in other models which are equivalent to the two-orbital Hubbard model except for symmetry of orbitals. Finally, we show that pairing states with a finite total momentum, even without a magnetic field, are possible in a system with two Fermi surfaces.
We discuss the spin-triplet pairing mechanism induced by the Hund rule ferromagnetic exchange.We include explicitly the eect of interband hybridization and treat the problem by starting from an extended Hubbard model for a doubly degenerate band, making the simplest HartreeFock approximation for the part involving the pairing and the Hubbard interaction.The conditions of stability of various phases are determined as a function of both band lling and microscopic parameters.The phase diagram contains regions of stability of the spin-triplet superconducting phase coexisting with either saturated or non-saturated ferromagnetism.Phase diagrams for the cases of constant density of states and that of square lattice have been provided.The inuence of hybridization on the stability of considered phases, as well as the temperature dependences of magnetic moment and the superconducting gap are also discussed.
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region and a suppression in the composite ordered phase. The doping-dependent phase diagram shows that the composite ordered state can be stabilized in the doped Mott regime, if conventional electronic orders are suppressed by frustration. While antiferro-orbital order dominates the filling range $2\ensuremath{\lesssim}n\ensuremath{\le}3$ and ferro-orbital order dominates the strongly interacting region for $1\ensuremath{\lesssim}n<2$, we find superconductivity with a remarkably high Tc{T}_{c}Tc​ around n=1.5n=1.5n=1.5 (quarter filling). Also in the doped system, there is a close connection between the orbital-freezing crossover and superconductivity.