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arXiv:2303.12142 · Physical review. B./Physical review. B

Transient dynamics and quantum phase diagram for the square lattice Rashba-Hubbard model at arbitrary hole doping

Erik Wegner Hodt, Jabir Ali Ouassou, Jacob Linder

Published Jun 26, 2023• 3 citations
arXivHTMLPDF

Abstract

Adding a Rashba term to the Hubbard Hamiltonian produces a model which can be used to learn how spin-orbit interactions impact correlated electrons on a lattice. Previous works have studied such a model using a variety of theoretical frameworks, mainly close to half filling. In this work, we determine the magnetic phase diagram for the Rashba-Hubbard model for arbitrary hole doping using a sine-square deformed lattice mean-field model with an unrestricted Ansatz, thus suppressing finite-size effects and allowing for inhomogeneous order. We find that the introduction of Rashba spin-orbit coupling significantly alters the ground-state properties of the Hubbard model and we observe an increasing complexity of the ground-state phase composition for increasing spin-orbit strength. We also introduce a gradual deformed envelope (GDE) technique building on the sine-square methodology to facilitate convergence towards ordered and defect-free ground-state configurations which is a challenge with the unrestricted ansatz at high interaction strengths. We observe that the use of the GDE technique significantly lowers the free energy of the obtained configurations. Moreover, we consider transient dynamics in the Rashba-Hubbard model by quenching the interaction strength. We find that the quench dynamics within a sine-square methodology allows for the simulation of quasiopen systems by using the zero-energy edge states as a particle reservoir. Interaction quenches at half filling show a tendency towards quench-induced spatial spin-magnitude inhomogeneity and a nonequilibrium system magnetization lower than equilibrium predictions, possibly related to a buildup of nonlocal correlations on the lattice.

DOI
10.1103/physrevb.107.224427

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Adding a Rashba term to the Hubbard Hamiltonian produces a model which can be used to learn how spin-orbit interactions impact correlated electrons on a lattice. Previous works have studied such a model using a variety of theoretical frameworks, mainly close to half filling. In this work, we determine the magnetic phase diagram for the Rashba-Hubbard model for arbitrary hole doping using a sine-square deformed lattice mean-field model with an unrestricted Ansatz, thus suppressing finite-size effects and allowing for inhomogeneous order. We find that the introduction of Rashba spin-orbit coupling significantly alters the ground-state properties of the Hubbard model and we observe an increasing complexity of the ground-state phase composition for increasing spin-orbit strength. We also introduce a gradual deformed envelope (GDE) technique building on the sine-square methodology to facilitate convergence towards ordered and defect-free ground-state configurations which is a challenge with the unrestricted ansatz at high interaction strengths. We observe that the use of the GDE technique significantly lowers the free energy of the obtained configurations. Moreover, we consider transient dynamics in the Rashba-Hubbard model by quenching the interaction strength. We find that the quench dynamics within a sine-square methodology allows for the simulation of quasiopen systems by using the zero-energy edge states as a particle reservoir. Interaction quenches at half filling show a tendency towards quench-induced spatial spin-magnitude inhomogeneity and a nonequilibrium system magnetization lower than equilibrium predictions, possibly related to a buildup of nonlocal correlations on the lattice.
We clarify the ground-state phase diagram of the half-filled square-lattice Hubbard model with Rashba spin-orbit coupling (SOC) characterized by the spin-split energy bands due to broken inversion symmetry. Although the Rashba metals and insulating magnets have been studied well, the intermediate interaction strength of the system remained elusive due to the lack of appropriate theoretical tools to unbiasedly describe the large-scale magnetic structures. We complementarily apply four different methods (sine-square deformed mean-field theory, random phase approximation, Luttinger-Tisza method, and density matrix embedding theory) and succeed in capturing the incommensurate spin-density-wave (SDW) phases with very long spatial periods which were previously overlooked. The transition to the SDW phases from the metallic phase is driven by an unprecedented instability that nests the two parts of the Fermi surface carrying opposite spins. For large SOC, the spiral, stipe, and vortex phases are obtained, when the four Dirac points exist near the Fermi level and their whole linear dispersions nest by a wavelength $\ensuremath{\pi}$, opening a band gap. These two types of transition provide Fermiology that distinguishes the antisymmetric SOC systems, generating a variety of magnetic phases that start from the relatively weak correlation regime and continue to the strongly interacting limit.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near 1/81/81/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about 1/51/51/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
We investigate the metal-insulator transition (MIT) and phase diagram of the half-filled Fermi Hubbard model with Rashba-type spin-orbit coupling (SOC) on a square optical lattice. The interplay between the atomic interactions and SOC results in distinctive features of the MIT. Significantly, in addition to the diverse spin ordered phases, a nonmagnetic insulating phase emerges in a considerably large regime of parameters near the Mott transition. This phase has a finite single-particle gap but vanishing magnetization and spin correlation exhibits a power-law scaling, suggesting a potential algebraic spin-liquid ground state. These results are confirmed by the non-perturbative cluster dynamical mean-field theory.
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moiré materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these developments, here, we investigate a generalization of the Hubbard model which includes the effects of long-range Coulomb interactions. Working on finite-sized two-dimensional square and triangular lattices, we use exact diagonalization and density-matrix renormalization group calculations to probe the magnetic structure of the ground state in the strong-coupling regime, where UUU (the onsite repulsion) ≫\gg≫ ttt (the nearest-neighbor hopping). For small electron dopings above the half-filled antiferromagnet, we numerically uncover a rich variety of magnetically ordered states, and in conjunction with theoretical arguments, infer the phase diagram of the system as a function of doping and interaction strengths. In particular, we find that the inclusion of long-range Coulomb interactions induces an instability of high-spin states$\unicode{x2014}$such as the saturated Nagaoka ferromagnet$\unicode{x2014}$towards phase separation and stripe ordering. We also present proposals for the observation of some of our key findings in experiments that would shed further light on this paradigmatic strongly correlated system.
In this work, we investigate the impact of Rashba spin-orbit coupling (RSOC) on the formation of charge-density wave (CDW) and superconducting (SC) phases in the Holstein model on a half-filled square lattice. Using unbiased finite-temperature Quantum Monte Carlo simulations, we go beyond mean-field approaches to determine the ground state order parameter as a function of RSOC and phonon frequency. Our results reveal that the Rashba metal is unstable due to particle-hole instabilities, favoring the emergence of a CDW phase for any RSOC value. In the limit of a pure Rashba hopping, the model exhibits a distinct behavior with the appearance of four Weyl cones at half-filling, where quantum phase transitions are expected to occur at strong interactions. Indeed, a quantum phase transition, belonging to the Gross-Neveu Ising universality class between a semi-metal and CDW emerges at finite phonon frequency dependent coupling λcλ_cλc​. In the antiadiabatic limit we observe an enhanced symmetry in the infrared that unifies SC and CDW orders. These results advance our understanding of competing CDW and SC phases in systems with spin-orbit coupling, providing insights that may help clarify the behavior of related materials.
The Rashba-Hubbard model on the square lattice is the paradigmatic case for studying the effect of spin-orbit coupling, which breaks spin and inversion symmetry, in a correlated electron system. We employ a truncated-unity variant of the functional renormalization group which allows us to analyze magnetic and superconducting instabilities on equal footing. We derive phase diagrams depending on the strengths of Rasbha spin-orbit coupling, real second-neighbor hopping, and electron filling. We find commensurate and incommensurate magnetic phases which compete with ddd-wave superconductivity. Due to the breaking of inversion symmetry, singlet and triplet components mix; we quantify the mixing of ddd-wave singlet pairing with fff-wave triplet pairing.