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arXiv:2301.08116 · Physical review. B./Physical review. B

Resolving competition of charge density wave and superconducting phases using the matrix product state plus mean field algorithm

Gunnar Bollmark, Thomas Köhler, Adrian Kantian

Published Mar 17, 2025• 0 citations
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Abstract

Materials with strong electronic correlations often exhibit a superconducting phase in close competition with other insulating phases, which is outstandingly difficult to resolve, e.g., for a group of quasi-two-dimensional (Q2D) materials such as the cuprates, even for the simplified minimal model of these materials, the doped 2D Hubbard model. The present work shows how quasi-one-dimensional (Q1D) systems, 2D and three-dimensional (3D) arrays of weakly coupled 1D correlated electrons, are much more amenable to resolving such competition, treating both instabilities on equal footing. Using the recently established matrix product state plus mean field ( MPS + MF ) approach for fermions [Bollmark , ], we demonstrate that large systems can be reached readily in these systems, which opens up the thermodynamic regime via extrapolation. Focusing on basic model systems, 3D arrays of negative- U Hubbard chains with additional nearest-neighbor interaction V , we show that despite the MF component of the MPS + MF technique, we can reproduce the expected coexistence of the superconductivity and charge density wave at V = 0 for density n = 1 . We then show how we can tune away from coexistence by both tuning V and doping the system. This work thus paves the way to deploy two-channel MPS + MF theory on some highly demanding high- T c superconducting systems, such as 3D arrays of repulsive- U doped Hubbard ladders; we recently characterized the properties of such arrays in single-channel MPS + MF calculations [Bollmark , ].

DOI
10.1103/physrevb.111.125141

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Materials with strong electronic correlations often exhibit a superconducting phase in close competition with other insulating phases, which is outstandingly difficult to resolve, e.g., for a group of quasi-two-dimensional (Q2D) materials such as the cuprates, even for the simplified minimal model of these materials, the doped 2D Hubbard model. The present work shows how quasi-one-dimensional (Q1D) systems, 2D and three-dimensional (3D) arrays of weakly coupled 1D correlated electrons, are much more amenable to resolving such competition, treating both instabilities on equal footing. Using the recently established matrix product state plus mean field ( MPS + MF ) approach for fermions [Bollmark , ], we demonstrate that large systems can be reached readily in these systems, which opens up the thermodynamic regime via extrapolation. Focusing on basic model systems, 3D arrays of negative- U Hubbard chains with additional nearest-neighbor interaction V , we show that despite the MF component of the MPS + MF technique, we can reproduce the expected coexistence of the superconductivity and charge density wave at V = 0 for density n = 1 . We then show how we can tune away from coexistence by both tuning V and doping the system. This work thus paves the way to deploy two-channel MPS + MF theory on some highly demanding high- T c superconducting systems, such as 3D arrays of repulsive- U doped Hubbard ladders; we recently characterized the properties of such arrays in single-channel MPS + MF calculations [Bollmark , ].
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Predicting critical temperature in quantum simulators for high-TcT_cTc​ superconductivity: the matrix product state plus mean field approach
Quantum simulation based on ultra cold atomic lattice gases is one of the most promising platforms to investigate high-TcT_cTc​ superconductivity beyond the limited capabilities of quantum many body numerics on classical computers. Yet, despite enormous progress since the field's inception, realizing a high-TcT_cTc​ superconducting state still remains out of reach. The present work lays the groundwork to purpose the recently proposed, and already partly realized, mixed-dimensional (mixD) models, towards this end. These systems offer the proven capability to realize very high pairing energies while retaining appreciable mobility of pairs. We specifically investigate the potential of 2D mixD-models with anisotropic tunneling, using the matrix product state plus mean field theory (MPS+MF) for fermions, and show that these models may enter a high-TcT_cTc​ superconducting phase. These simulations in turn are based on a comprehensive characterization of the 1D mixD-systems, which are the sub-units of which the 2D system is comprized. In this, we cover the range of currently experimentally relevant system sizes, and establish practical heuristics to determine when finite\hyp size effects preclude the use of a 1D mixD-system to build the 2D ones.
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Recently, a flurry of works have found strong competition between charge density wave (CDW) and superconductivity (SC) in the doped Hubbard and $t\text{\ensuremath{-}}J$ models on the square lattice. Interestingly, some recent results suggest that the electron-phonon coupling may suppress CDW order and enhance SC. In this work, we consider the square-lattice Hubbard model with the Holstein or Su-Schrieffer-Heeger electron-phonon coupling at the large-UUU and antiadiabatic (infinite phonon frequency) limits, which gives an effective $t\text{\ensuremath{-}}J$ model with either a density attractive interaction VVV or a JP{J}_{P}JP​ term that contributes a larger spin exchange and a density repulsive interaction. To explore how these effective couplings may tune the competition between CDW and SC, we implement the density matrix renormalization group simulations on the $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}\text{\ensuremath{-}}J$ model with VVV or JP{J}_{P}JP​ coupling. We focus on the six-leg cylinder system with the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$, which hosts partially filled stripe and ddd-wave SC in phase diagram. By tuning ${t}^{\ensuremath{'}}/t>0$ and VVV or JP{J}_{P}JP​, we establish two quantum phase diagrams at 112\frac{1}{12}121​ doping ratio. In the SC phases, the increased VVV or JP{J}_{P}JP​ coupling can enhance the quasi-long-range SC order, consistent with some previous findings. Nonetheless, no SC emerges when the partially filled stripe phase disappears with increased VVV or JP{J}_{P}JP​. Instead, the system has a transition to either a phase-separation-like regime or a filled stripe phase. On the other hand, with increased ${t}^{\ensuremath{'}}/t$, not only the partially filled stripe but the phase separation and filled stripe can also be tuned to SC phase. Our results suggest that although VVV and JP{J}_{P}JP​ couplings may strengthen hole binding, the hole dynamics controlled by ${t}^{\ensuremath{'}}/t$ appears to play a more crucial role for obtaining a SC in the $t\text{\ensuremath{-}}J$ model.
Unravelling competing orders emergent in doped Mott insulators and their interplay with unconventional superconductivity is one of the major challenges in condensed matter physics. To explore the possible superconducting state in a doped Mott insulator, we study the square-lattice t-J model with both the nearest-neighbor and next-nearest-neighbor electron hoppings and spin interactions. By using the state-of-the-art density matrix renormalization group calculation with imposing charge U(1) and spin SU(2) symmetries on the six-leg cylinders, we establish a quantum phase diagram including three phases: a stripe charge density wave phase, a superconducting phase without static charge order, and a superconducting phase coexistent with a weak charge stripe order. Crucially, we demonstrate that the superconducting phase has a power-law pairing correlation that decays much slower than the charge density and spin correlations, which is a quasi-1D descendant of the uniform d-wave superconductor in two dimensions. These findings reveal that enhanced charge and spin fluctuations with optimal doping is able to produce robust d-wave superconductivity in doped Mott insulators, providing a foundation for connecting theories of superconductivity to models of strongly correlated systems.
We provide a quasi-one-dimensional model which can support a pair-density-wave (PDW) state, in which the superconducting (SC) order parameter modulates periodically in space, with gapless Bogoliubov quasiparticle excitations. The model consists of an array of strongly interacting one-dimensional systems, where the one-dimensional systems are coupled to each other by local interactions and tunneling of the electrons and Cooper pairs between them. Within the interchain mean-field theory, we find several SC states from the model, including a conventional uniform SC state, PDW SC state, and a coexisting phase of the uniform SC and PDW states. In this quasi-1D regime we can treat the strong correlation physics essentially exactly using bosonization methods and the crossover to the 2D system by means of interchain mean-field theory. The resulting critical temperatures of the SC phases generically exhibit a power-law scaling with the coupling constants of the array, instead of the essential singularity found in weak-coupling BCS-type theories. Electronic excitations with an open Fermi surface, which emerge from the electronic Luttinger liquid systems below their crossover temperature to the Fermi liquid, are then coupled to the SC order parameters via the proximity effect. From the Fermi surface thus coupled to the SC order parameters, we calculate the quasiparticle spectrum in detail. We show that the quasiparticle spectrum can be fully gapped or nodal in the uniform SC phase and also in the coexisting phase of the uniform SC and PDW parameters. In the pure PDW state, the excitation spectrum has a reconstructed Fermi surface in the form of Fermi pockets of Bogoliubov quasiparticles.