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Andre-Marie Tremblay
Publication date
2001
fields
Physics
and research's language is
English
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In a recent paper, Phys. Rev. Lett. 87, 167010/1-4 (2001), Moukouri and Jarrell presented evidence that in the two-dimensional (d=2) Hubbard model at half-filling there is a metal-insulator transition (MIT) at finite temperature even in weak coupling. While we agree with the numerical results of that paper, we arrive at different conclusions: The apparent gap at finite-temperature can be understood, at weak-coupling, as a crossover phenomenon involving large (but not infinite) antiferromagnetic (AFM) correlation length. Phase-space effects on the self-energy in d=2 are crucial, as are the ratio between AFM correlation length and single-particle thermal de Broglie wavelength. In weak coupling, d=2, there is in general no finite-temperature MIT transition in the thermodynamic sense.
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We consider the one-band Hubbard model on the square lattice by using variational and Greens function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction $U$, we can identify a hidden critical point $U_{rm Mott}$, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the paramagnetic sector and determines a separation between a Slater insulator (at small values of $U$), where magnetism induces a potential energy gain, and a Mott insulator (at large values of $U$), where magnetic correlations drive a kinetic energy gain. Most importantly, the existence of $U_{rm Mott}$ has crucial consequences when doping the system: We observe a tendency to phase separation into a hole-rich and a hole-poor region only when doping the Slater insulator, while the system is uniform by doping the Mott insulator. Superconducting correlations are clearly observed above $U_{rm Mott}$, leading to the characteristic dome structure in doping. Furthermore, we show that the energy gain due to the presence of a finite BCS pairing above $U_{rm Mott}$ shifts from the potential to the kinetic sector by increasing the value of the Coulomb repulsion.
We study the competition between stripe states with different periods and a uniform $d$-wave superconducting state in the extended 2D Hubbard model at 1/8 hole doping using infinite projected entangled-pair states (iPEPS). With increasing strength of negative next-nearest neighbor hopping $t$, the preferred period of the stripe decreases. For the values of $t$ predicted for cuprate high-T$_c$ superconductors, we find stripes with a period 4 in the charge order, in agreement with experiments. Superconductivity in the period 4 stripe is suppressed at $1/8$ doping. Only at larger doping, $0.18 lesssim delta < 0.25$, the period 4 stripe exhibits coexisting $d$-wave superconducting order. The uniform $d$-wave state is only favored for sufficiently large positive $t$.
In the most studied family of organic superconductors kappa-(BEDT-TTF)_2X, the BEDT-TTF molecules that make up the conducting planes are coupled as dimers. For some anions X, an antiferromagnetic insulator is found at low temperatures adjacent to superconductivity. With an average of one hole carrier per dimer, the BEDT-TTF band is effectively 1/2-filled. Numerous theories have suggested that fluctuations of the magnetic order can drive superconducting pairing in these models, even as direct calculations of superconducting pairing in monomer 1/2-filled band models find no superconductivity. Here we present accurate zero-temperature Density Matrix Renormalization Group (DMRG) calculations of a dimerized lattice with one hole per dimer. While we do find an antiferromagnetic state in our results, we find no evidence for superconducting pairing. This further demonstrates that magnetic fluctuations in the effective 1/2-filled band approach do not drive superconductivity in these and related materials.
The high-temperature superconducting cuprates are governed by intertwined spin, charge, and superconducting orders. While various state-of-the-art numerical methods have demonstrated that these phases also manifest themselves in doped Hubbard models, they differ on which is the actual ground state. Finite cluster methods typically indicate that stripe order dominates while embedded quantum cluster methods, which access the thermodynamic limit by treating long-range correlations with a dynamical mean field, conclude that superconductivity does. Here, we report the observation of fluctuating spin and charge stripes in the doped single-band Hubbard model using a quantum Monte Carlo dynamical cluster approximation (DCA) method. By resolving both the fluctuating spin and charge orders using DCA, we demonstrate for the first time that they survive in the doped Hubbard model in the thermodynamic limit. This discovery also provides a new opportunity to study the influence of fluctuating stripe correlations on the models pairing correlations within a unified numerical framework.
Partial bosonisation of the two-dimensional Hubbard model focuses the functional renormalisation flow on channels in which interactions become strong and local order sets in. We compare the momentum structure of the four-fermion vertex, obtained on the basis of a patching approximation, to an effective bosonic description. For parameters in the antiferromagnetic phase near the onset of local antiferromagnetic order, the interaction of the electrons is indeed well described by the exchange of collective bosonic degrees of freedom. The residual four-fermion vertex after the subtraction of the bosonic exchange contribution is small. We propose that similar partial bosonisation techniques can improve the accuracy of renormalisation flow studies also for the case of competing order.
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