No Arabic abstract
We introduce a set of generalized slave-particle models for extended Hubbard models that treat localized electronic correlations using slave-boson decompositions. Our models automatically include two slave-particle methods of recent interest, the slave-rotor and slave-spin methods, as well as a ladder of new intermediate models where one can choose which of the electronic degrees of freedom (e.g., spin or orbital labels) are treated as correlated degrees of freedom by the slave bosons. In addition, our method removes the aberrant behavior of the slave-rotor model at weak correlation strength by removing the contribution of unphysical states from the bosonic Hilbert space. The flexibility of our formalism permits one to separate and isolate the effect of correlations on the key degrees of freedom.
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions U>=3t. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.
Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended Hubbard models on two lattices: (i) the honeycomb lattice with on-site $U$ and nearest-neighbor $V$ Coulomb interactions at $3/4$ filling ($n=3/2$) and (ii) the triangular lattice with on-site $U$, nearest-neighbor $V$, and next-nearest-neighbor $V$ Coulomb interactions at $3/8$ filling ($n=3/4$). We consider various approaches including mean-field approximations, perturbation theory, and variational Monte Carlo. For the honeycomb case (i), charge order induces an effective triangular lattice at large values of $U/t$ and $V/t$, where $t$ is the nearest-neighbor hopping integral. The nearest-neighbor spin exchange interactions on this effective triangular lattice are antiferromagnetic in most of the phase diagram, while they become ferromagnetic when $U$ is much larger than $V$. At $U/tsim (V/t)^3$, ferromagnetic and antiferromagnetic exchange interactions nearly cancel out, leading to a system with four-spin ring-exchange interactions. On the other hand, for the triangular case (ii) at large $U$ and finite $V$, we find no charge order for small $V$, an effective kagome lattice for intermediate $V$, and one-dimensional charge order for large $V$. These results indicate that Coulomb interactions induce [case (i)] or enhance [case(ii)] emergent geometrical frustration of the spin degrees of freedom in the system, by forming charge order.
We describe a theoretical approach for finding spontaneously symmetry-broken electronic phases due to strong electronic interactions when using recently developed slave-particle (slave-boson) approaches based on occupation numbers. We describe why, to date, spontaneous symmetry breaking has proven difficult to achieve in such approaches. We then provide a total-energy based approach for introducing auxiliary symmetry breaking fields into the solution of the slave-particle problem that leads to lowered total energies for symmetry broken phases. We point out that not all slave-particle approaches yield to energy lowering: the slave-particle model being used must explicitly describe the degrees of freedom that break symmetry. Finally, our total energy approach permits us to greatly simplify the formalism used to achieve a self-consistent solution between spinon and slave modes while increasing numerical stability and greatly speeding up the calculations.
We develop an efficient approach for computing two-particle response functions and interaction vertices for multiorbital strongly correlated systems based on fluctuation around rotationally-invariant slave-boson saddle-point. The method is applied to the degenerate three-orbital Hubbard-Kanamori model for investigating the origin of the s-wave orbital antisymmetric spin-triplet superconductivity in the Hunds metal regime, previously found in the dynamical mean-field theory studies. By computing the pairing interaction considering the particle-particle and the particle-hole scattering channels, we identify the mechanism leading to the pairing instability around Hunds metal crossover arises from the particle-particle channel, containing the local electron pair fluctuation between different particle-number sectors of the atomic Hilbert space. On the other hand, the particle-hole spin fluctuations induce the s-wave pairing instability before entering the Hunds regime. Our approach paves the way for investigating the pairing mechanism in realistic correlated materials.
We consider $N$-particle generalizations of $eta$-paring states in a chain of $N$-component fermions and show that these states are exact (high-energy) eigenstates of an extended SU($N$) Hubbard model. We compute the singlet correlation function of the states and find that its behavior is qualitatively different for even and odd $N$. When $N$ is even, these states exhibit off-diagonal long-range order in $N$-particle reduced density matrix. On the other hand, when $N$ is odd, the singlet correlation function decays exponentially toward the other end of the chain but shows a revival at the other end. Finally, we prove that these states are the unique ground states of suitably tailored Hamiltonians.