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Weak phase separation in electron-doped cuprates

Markus Aichhorn, Enrico Arrigoni

Published Feb 2, 2005• 0 citations
OpenAlex

Abstract

We study the quantum transition from an antiferromagnet to a superconductor in a model for electron- and hole-doped cuprates by means of a variational cluster perturbation theory approach. In both cases, our results suggest a tendency towards phase separation between a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at larger doping. However, in the electron-doped case the energy scale for phase separation is an order of magnitude smaller than for hole doping. We argue that this can explain the different pseudogap and superconducting transition scales in hole- and electron-doped materials.

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We study the quantum transition from an antiferromagnet to a superconductor in a model for electron- and hole-doped cuprates by means of a variational cluster perturbation theory approach. In both cases, our results suggest a tendency towards phase separation between a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at larger doping. However, in the electron-doped case the energy scale for phase separation is an order of magnitude smaller than for hole doping. We argue that this can explain the different pseudogap and superconducting transition scales in hole- and electron-doped materials.
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.
Using the variational cluster approach, we study the transition from the antiferromagnetic to the superconducting phase of the two-dimensional Hubbard model at zero temperature. Our calculations are based on a method to evaluate the VCA grand potential which employs a modified Lanczos algorithm and avoids integrations over the real or imaginary frequency axis. Thereby, very accurate results are possible for cluster sizes not accessible to full diagonalization. This is important for an improved treatment of short-range correlations, including correlations between Cooper pairs in particular. We apply this improved method in order to investigate the cluster-size dependence of the phase-separation tendency that has been proposed recently on the basis of calculations for smaller clusters. While the energy barrier associated with phase separation rapidly decreases with increasing cluster size for both hole and electron doping, the extension of the phase-separation region behaves differently in the two cases. More specifically, our results suggest that phase separation remains persistent in the hole-doped case and disappears in the electron-doped case. We also study the evolution of the single-particle spectrum as a function of doping and point out the relevance of our results for experimental findings in electron and hole-doped materials.
The SU(2) slave-boson mean-field theory for the ${\mathrm{tt}}^{\ensuremath{'}}J$ model is analyzed. The role of next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ on the phase diagram is studied. We find a pseudogap phase in hole-doped (HD) materials (where ${t}^{\ensuremath{'}}<0).$ The pseudogap phase is a U(1) spin liquid (the staggered-flux phase) with a U(1) gauge interaction and no fractionalization. This agrees with experiments on HD samples. The same calculation also indicates that a positive ${t}^{\ensuremath{'}}$ favors a Z2{Z}_{2}Z2​ state with true spin-charge separation. The Z2{Z}_{2}Z2​ state that exists when ${t}^{\ensuremath{'}}\ensuremath{\gtrsim}0.5J$ can be a candidate for the pseudogap phase of electron-doped (ED) cuprates (if such a phase exists). The experimental situation in ED materials is also addressed.
Using variational cluster perturbation theory we study the competition between ddd-wave superconductivity (dSCd\mathrm{SC}dSC) 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 dSCd\mathrm{SC}dSC that should be observable in photoemission experiments.
Using Gutzwiller-projected wave functions, I estimate the ground-state energy of the $t\text{\ensuremath{-}}J$ model for several variational states relevant for high-temperature cuprate superconductors. The results indicate that both the superconducting state and the staggered-flux normal state (proposed for vortex cores) are unstable at low doping towards antiferromagnetism and towards phase separation. While phase separation in the underdoped superconducting state may be relevant for the stripe formation mechanism, the results for the normal state suggest that similar charge inhomogeneities may also appear in vortex cores up to relatively high doping values.
This is a short review of the theoretical work on the two-dimensional Hubbard model performed in Sherbrooke in the last few years. It is written on the occasion of the twentieth anniversary of the discovery of high-temperature superconductivity. We discuss several approaches, how they were benchmarked and how they agree sufficiently with each other that we can trust that the results are accurate solutions of the Hubbard model. Then comparisons are made with experiment. We show that the Hubbard model does exhibit d-wave superconductivity and antiferromagnetism essentially where they are observed for both hole- and electron-doped cuprates. We also show that the pseudogap phenomenon comes out of these calculations. In the case of electron-doped high temperature superconductors, comparisons with angle-resolved photoemission experiments are nearly quantitative. The value of the pseudogap temperature observed for these compounds in recent photoemission experiments had been predicted by theory before it was observed experimentally. Additional experimental confirmation would be useful. The theoretical methods that are surveyed include mostly the two-particle self-consistent approach, variational cluster perturbation theory (or variational cluster approximation), and cellular dynamical mean-field theory.