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Register a new userNickelate superconductors -- a renaissance of the one-band Hubbard model
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Following the discovery of superconductivity in the cuprates and the seminal work by Anderson, the theoretical efforts to understand high-temperature superconductivity have been focusing to a large extent on a simple model: the one-band Hubbard model. However, superconducting cuprates need to be doped, and the doped holes go into the oxygen orbitals. This requires a more elaborate multi-band model such as the three-orbital Emery model. The recently discovered nickelate superconductors appear, at first glance, to be even more complicated multi-orbital systems. Here, we analyse this multi-orbital system and find that it is instead the nickelates which can be described by a one-band Hubbard model, albeit with an additional electron reservoir and only around the superconducting regime. Our calculations of the critical temperature Tc are in good agreement with experiment, and show that optimal doping is slightly below the 20% Sr-doping of Ref. 11. Even more promising than 3d nickelates are 4d palladates.
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X-ray absorption spectra on the overdoped high-temperature superconductors Tl_2Ba_2CuO_{6+delta} (Tl-2201) and La_{2-x}Sr_xCuO_{4+delta} (LSCO) reveal a striking departure in the electronic structure from that of the underdoped regime. The upper Hubbard band, identified with strong correlation effects, is not observed on the oxygen K edge, while the lowest-energy prepeak gains less intensity than expected above p ~ 0.21. This suggests a breakdown of the Zhang-Rice singlet approximation and a loss of correlation effects or a significant shift in the most fundamental parameters of the system, rendering single-band Hubbard models inapplicable. Such fundamental changes suggest that the overdoped regime may offer a distinct route to understanding in the cuprates.
We study the three-band Hubbard model for the copper oxide plane of the high-temperature superconducting cuprates using determinant quantum Monte Carlo and the dynamical cluster approximation (DCA) and provide a comprehensive view of the pairing correlations in this model using these methods. Specifically, we compute the pair-field susceptibility and study its dependence on temperature, doping, interaction strength, and charge-transfer energy. Using the DCA, we also solve the Bethe-Salpeter equation for the two-particle Greens function in the particle-particle channel to determine the transition temperature to the superconducting phase on smaller clusters. Our calculations reproduce many aspects of the cuprate phase diagram and indicate that there is an optimal value of the charge-transfer energy for the model where $T_c$ is largest. These results have implications for our understanding of superconductivity in both the cuprates and other doped charge-transfer insulators.
In this study, we examine the superconducting instability of a quasi-one-dimensional lattice in the Hubbard model based on the random-phase approximation (RPA) and the fluctuation exchange (FLEX) approximation. We find that a spin-singlet pair density wave (PDW-singlet) with a center-of-mass momentum of $2k_F$ can be stabilized when the one-dimensionality becomes prominent toward the perfect nesting of the Fermi surface. The obtained pair is a mixture of even-frequency and odd-frequency singlet ones. The dominant even-frequency component does not have nodal lines on the Fermi surface. This PDW-singlet state is more favorable as compared to RPA when self-energy correction is introduced in the FLEX approximation.
Based on a two-band model, we study the electronic Raman scattering intensity in both normal and superconducting states of iron-pnictide superconductors. For the normal state, due to the match or mismatch of the symmetries between band hybridization and Raman vertex, it is predicted that overall $B_{1g}$ Raman intensity should be much weaker than that of the $B_{2g}$ channel. Moreover, in the non-resonant regime, there should exhibit a interband excitation peak at frequency $omegasimeq 7.3 t_1 (6.8t_1)$ in the $B_{1g}$ ($B_{2g}$) channel. For the superconducting state, it is shown that $beta$-band contributes most to the $B_{2g}$ Raman intensity as a result of multiple effects of Raman vertex, gap symmetry, and Fermi surface topology. Both extended $s$- and $d_{xy}$-wave pairings in the unfolded BZ can give a good description to the reported $B_{2g}$ Raman data [Muschler {em et al.}, Phys. Rev. B. {bf 80}, 180510 (2009).], while $d_{x^2-y^2}$-wave pairing in the unfolded BZ seems to be ruled out.
In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature $T_{text{c}}$. The preceding theoretical and experimental studies have provided an overall picture of the phase diagram, and some important parameters for the $T_{text{c}}$, such as the contribution of the Cu $d_{z^2}$ orbital to the Fermi surface and the site-energy difference $Delta_{dp}$ between the Cu $d_{x^2-y^2}$ and O $p$ orbitals. However, they are somewhat empirical and limited in scope, always including exceptions, and do not provide a comprehensive view of the series of cuprates. Here we propose a four-band $d$-$p$ model as a minimal model to study material dependence in cuprates. Using the variational Monte Carlo method, we theoretically investigate the phase diagram for the La$_2$CuO$_4$ and HgBa$_2$CuO$_4$ systems and the correlation between the key parameters and the superconductivity. Our results comprehensively account for the empirical correlation between $T_{text{c}}$ and model parameters, and thus can provide a guideline for new material design. We also show that the effect of the nearest-neighbor $d$-$d$ Coulomb interaction $V_{dd}$ is actually quite important for the stability of superconductivity and phase competition.
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