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arXiv:cond-mat/0410162 · Physical Review Letters

Competition between Antiferromagnetism and Superconductivity in High- T c Cuprates

David Sénéchal, Pierre-Luc Lavertu, M.-A. Marois, A.–M. S. Tremblay

Published Apr 20, 2005• 231 citations
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Abstract

Using variational cluster perturbation theory we study the competition between $d$-wave superconductivity ($d\mathrm{SC}$) and antiferromagnetism (AF) in the $t\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}U$ Hubbard model. Large scale computer calculations reproduce the overall ground-state phase diagram of the high-temperature superconductors as well as the one-particle excitation spectra for both hole and electron doping. We identify clear signatures of the Mott gap as well as of AF and of $d\mathrm{SC}$ that should be observable in photoemission experiments.

DOI
10.1103/physrevlett.94.156404

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Using variational cluster perturbation theory we study the competition between ddd-wave superconductivity (dSCd\mathrm{SC}dSC) and antiferromagnetism (AF) in the t\ensuremath-t\ensuremath′\ensuremath-t\ensuremath′\ensuremath′\ensuremath-Ut\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}Ut\ensuremath-t\ensuremath′\ensuremath-t\ensuremath′\ensuremath′\ensuremath-U Hubbard model. Large scale computer calculations reproduce the overall ground-state phase diagram of the high-temperature superconductors as well as the one-particle excitation spectra for both hole and electron doping. We identify clear signatures of the Mott gap as well as of AF and of dSCd\mathrm{SC}dSC that should be observable in photoemission experiments.
The competition between ddd-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc{T}_{c}Tc​ cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational quantum-cluster theory. The approach is shown to provide a thermodynamically consistent determination of the particle number, provided that an overall shift of the on-site energies is treated as a variational parameter. The consequences for the single-particle excitation spectra and for the phase diagram are explored. By comparing the single-particle spectra with quantum Monte Carlo and experimental data, we verify that the low-energy excitations in a strongly correlated electronic system are described appropriately. The cluster calculations also reproduce the overall ground-state phase diagram of the high-temperature superconductors. In particular, they include salient features such as the enhanced robustness of the antiferromagnetic state as a function of electron doping and the tendency towards phase separation into a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at high (both hole and electron) doping.
Proximity to a Mott insulating phase is likely to be an important physical ingredient of a theory that aims to describe high-temperature superconductivity in the cuprates. Quantum cluster methods are well suited to describe the Mott phase. Hence, as a step toward a quantitative theory of the competition between antiferromagnetism and ddd-wave superconductivity in the cuprates, we use cellular dynamical mean-field theory to compute zero-temperature properties of the two-dimensional square lattice Hubbard model. The ddd-wave order parameter is found to scale like the superexchange coupling JJJ for on-site interaction UUU comparable to or larger than the bandwidth. The order parameter also assumes a dome shape as a function of doping, while, by contrast, the gap in the single-particle density of states decreases monotonically with increasing doping. In the presence of a finite second neighbor hopping ${t}^{\ensuremath{'}}$, the zero-temperature phase diagram displays the electron-hole asymmetric competition between antiferromagnetism and superconductivity that is observed experimentally in the cuprates. Adding realistic third neighbor hopping ${t}^{\ensuremath{''}}$ improves the overall agreement with the experimental phase diagram. Since band parameters can vary depending on the specific cuprate considered, the sensitivity of the theoretical phase diagram to band parameters challenges the commonly held assumption that the doping vs Tc∕Tcmax{T}_{c}∕{T}_{c}^{\mathit{max}}Tc​∕Tcmax​ phase diagram of the cuprates is universal. The calculated angle-resolved photoemission spectrum displays the observed electron-hole asymmetry. The tendency to homogeneous coexistence of the superconducting and antiferromagnetic order parameters is stronger than observed in most experiments but consistent with many theoretical results and with experiments in some layered high-temperature superconductors. Clearly, our calculations reproduce important features of ddd-wave superconductivity in the cuprates that would otherwise be considered anomalous from the point of view of the standard Bardeen--Cooper--Schrieffer approach. At strong coupling, ddd-wave superconductivity and antiferromagnetism naturally appear as two equally important competing instabilities of the normal phase of the same underlying Hamiltonian.
In view of cuprate superconductors, interplay between antiferromagnetism (AF) and superconductivity (SC) is studied for the square-lattice Hubbard model with a diagonal transfer t , using a variational Monte Carlo method.In the trial wave function, essential factors of Mott physics and band renormalization are introduced.It is found that whether AF and SC become coexistent or competitive is sensitive to the values of model parameters, U/t, t /t, and δ (doping rate).Furthermore, in case AF gap is finite, namely, in pure AF or coexisting cases, the state is unstable against phase separation.
The two-dimensional Hubbard model was originally proposed as the minimal model of uniform ddd-wave superconductivity in the cuprate high-temperature superconductors, but recent calculations with relevant parameters in a realistic doping regime have often found other ground states. Further, uncertainty remains over such results due to the intrinsic bias of different computational methods. Here we address this uncertainty through state-of-the-art neural tensor network and neural backflow state simulations, enabled by large-scale GPU computation, that together reach an unprecedented variational accuracy on lattices with up to 1024 sites. At 1/81/81/8 doping in the pure Hubbard model, as well as with next-nearest-neighbor hopping relevant to the hole-doped cuprates, we reveal a near degeneracy among a low-energy uniform ddd-wave state, superconducting stripes, and non-superconducting stripe states on the milli-ttt energy scale. Our work rebalances the narrative that the Hubbard model supports a single dominant order in relevant parameter regimes towards a picture of extreme competition between stripes and superconductivity.
We investigate the asymmetry between electron and hole doping in a 2D Mott insulator and the resulting competition between antiferromagnetism (AFM) and d-wave superconductivity (SC), using variational Monte Carlo calculations for projected wave functions. We find that key features of the T=0 phase diagram, such as critical doping for SC-AFM coexistence and the maximum value of the SC order parameter, are determined by a single parameter eta which characterizes the topology of the "Fermi surface" at half filling defined by the bare tight-binding parameters. Our results give insight into why AFM wins for electron doping, while SC is dominant on the hole-doped side. We also suggest using band structure engineering to control the eta parameter for enhancing SC.
To study the relationship between antiferromagnetism (AF) and superconductivity (SC) in cuprate superconductors, we have performed a variational Monte Carlo calculation on the two-dimensional Hubbard model with a diagonal transfer t' [1,2]. The following improvements are introduced into the variational function: (1) Coexistence of AF and d-wave singlet gaps that allows a continuous description of their interplay, (2) band renormalization effect owing to the electron correlation up to the fourth-neighbor hoppings, and (3) refined doublon-holon correlation factors. It is found that the AF and SC orders become coexistent or competitive according to the values of model parameters, U/t, t'/t, and δ (doping rate), and the effective band is strongly renormalized for large U/t and low doping rates, so as to recover the nesting condition favorable to AF.