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arXiv:1806.03652 · Physical review. B./Physical review. B

Doping-driven antiferromagnetic insulator-superconductor transition: A quantum Monte Carlo study

Tianxing Ma, Da Wang, Congjun Wu

Published Aug 12, 2022• 10 citations
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Abstract

How superconductivity emerges in the vicinity of an antiferromagnetic insulating state is a long-standing issue of strong correlation physics. We study the transition from an antiferromagnetic insulator to a superconductor by hole doping based on a bilayer generalization of a Hubbard model. The projector quantum Monte Carlo simulations are employed, which are sign problem free both at and away from half filling. An anisotropic Ising antiferromagnetic Mott insulating phase occurs at half filling, which is weakened by hole doping. Below a critical doping value, antiferromagnetism coexists with the singlet superconductivity, which is a pairing across each rung with an extended $s$-wave symmetry. As doping further increases, the antiferromagnetic order vanishes, leaving only a superconducting phase. These results provide important information on how superconductivity appears upon doping the parent Mott-insulating state.

DOI
10.1103/physrevb.106.054510

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How superconductivity emerges in the vicinity of an antiferromagnetic insulating state is a long-standing issue of strong correlation physics. We study the transition from an antiferromagnetic insulator to a superconductor by hole doping based on a bilayer generalization of a Hubbard model. The projector quantum Monte Carlo simulations are employed, which are sign problem free both at and away from half filling. An anisotropic Ising antiferromagnetic Mott insulating phase occurs at half filling, which is weakened by hole doping. Below a critical doping value, antiferromagnetism coexists with the singlet superconductivity, which is a pairing across each rung with an extended sss-wave symmetry. As doping further increases, the antiferromagnetic order vanishes, leaving only a superconducting phase. These results provide important information on how superconductivity appears upon doping the parent Mott-insulating state.
Understanding unconventional superconductivity (SC) driven by strong electronic correlations is a central challenge in condensed matter physics. In this work, we employ sign-problem-free quantum Monte Carlo (QMC) simulations to systematically investigate a bilayer fermionic model featuring strong interlayer antiferromagnetic (AFM) exchange and on-site repulsive Hubbard interactions. This system serves as a prototypical model for realizing a symmetric mass generation (SMG) insulator. Our numerically exact results unambiguously demonstrate that robust superconducting pairing emerges upon doping the SMG phase. Remarkably, we find that the SC order is significantly enhanced by the repulsive Hubbard interaction. Given its potential relevance to the essential features of the high-TcT_cTc​ superconductor La3Ni2O7\mathrm{La}_{3}\mathrm{Ni}_{2}\mathrm{O}_{7}La3​Ni2​O7​ under pressure, our study establishes a new paradigm for superconductivity arising from a doped SMG parent state and provides key theoretical guidance for future experimental investigations.
The competition between antiferromagnetism and superconductivity is one of the central questions in research involving strongly correlated systems. In this paper, we utilize a double-layer model containing Hubbard interaction and interlayer Heisenberg interaction to reveal their competition. This model is free of the sign problem under certain conditions, and we perform projector quantum Monte Carlo simulations to extract the ground-state correlations of magnetism and superconductivity. Our results show that the superconductivity emerges when the antiferromagnetism is suppressed by tuning the filling or the anisotropy of the interlayer Heisenberg interaction. This model can be seen as an analog of unconventional superconductors and may help us to understand the transition from an antiferromagnetic insulator to a superconductor.
Cooperation and competition between the antiferromagnetic, ddd-wave superconducting, and Mott-insulating states are explored for the two-dimensional Hubbard model including nearest and next-nearest-neighbor hoppings at zero temperature. Using the variational cluster approach with clusters of different shapes and sizes up to 10 sites, it is found that the doping-driven transition from a phase with microscopic coexistence of antiferromagnetism and superconductivity to a purely superconducting phase is discontinuous for strong interaction and accompanied by phase separation. At half-filling the system is in an antiferromagnetic Mott-insulating state with vanishing charge compressibility. Upon decreasing the interaction strength UUU below a certain critical value of roughly ${U}_{c}\ensuremath{\sim}4$ (in units of the nearest-neighbor hopping), however, the filling-dependent magnetic transition changes its character and becomes continuous. Phase separation or, more carefully, the tendency towards the formation of inhomogeneous states disappears. This critical value is in contrast to previous studies, where a much larger value was obtained. Moreover, we find that the system at half-filling undergoes the Mott transition from an insulator to a state with a finite charge compressibility at essentially the same value. The weakly correlated state at half-filling exhibits superconductivity microscopically admixed to the antiferromagnetic order. This scenario suggests a close relation between phase separation and the Mott-insulator physics.
An intricate interplay between superconductivity, pseudogap, and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified perspective of this interplay in the two-dimensional Hubbard model within cellular dynamical mean-field theory on a 2×2 plaquette and using the continuous-time quantum Monte Carlo method as impurity solver. Both at half filling and at finite doping, the metallic normal state close to the Mott insulator is unstable to d-wave superconductivity. Superconductivity can destroy the first-order transition that separates the pseudogap phase from the overdoped metal, yet that normal state transition leaves its marks on the dynamic properties of the superconducting phase. For example, as a function of doping one finds a rapid change in the particle-hole asymmetry of the superconducting density of states. In the doped Mott insulator, the dynamical mean-field superconducting transition temperature T(c)(d) does not scale with the order parameter when there is a normal-state pseudogap. T(c)(d) corresponds to the local pair formation temperature observed in tunneling experiments and is distinct from the pseudogap temperature.
Competing unconventional superconductivity and antiferromagnetism widely exist in several strongly correlated quantum materials whose direct simulation generally suffers from fermion sign problem. Here, we report unbiased quantum Monte Carlo (QMC) simulations on a sign-problem-free repulsive toy model with same on site symmetries as the standard Hubbard model on a 2D square lattice. Using QMC simulations, supplemented with mean-field and continuum field-theory arguments, we find that it hosts three distinct phases: a nodal d-wave phase, an antiferromagnet, and an intervening phase which hosts coexisting antiferromagnetism and nodeless d-wave superconductivity. The transition from the coexisting phase to the antiferromagnet is described by the 2+1-D XY universality class, while the one from the coexisting phase to the nodal d-wave phase is described by the Heisenberg-Gross-Neveu theory. The topology of our phase diagram resembles that of layered organic materials which host pressure tuned Mott transition from antiferromagnet to unconventional superconductor at half-filling.
We perform large-scale projector determinant quantum Monte Carlo simulations to study the insulating states of the half-filled SU(6) Hubbard model on the square lattice. The transition from the antiferromagnetic state to the valence bond solid state occurs as increasing the Hubbard UUU. In contrast, in the SU(2) and SU(4) cases antiferromagnetism persists throughout the entire interaction range. In the SU(6) case, antiferromagnetism starts to develop in the weak interacting regime based on the Slater mechanism of Fermi surface nesting. As UUU passes a crossover value ${U}^{*}/t\ensuremath{\approx}9$, the single-particle gap scales linearly with UUU, marking the onset of Mott physics. In the Mott regime, antiferromagnetism becomes to be suppressed as UUU increases and vanishes after UUU passes the critical value ${U}_{\mathrm{AF},\mathrm{c}}/t=13.3\ifmmode\pm\else\textpm\fi{}0.05$. The critical exponents are obtained via critical scalings as ${\ensuremath{\nu}}_{\mathrm{AF}}=0.60\ifmmode\pm\else\textpm\fi{}0.02$ and ${\ensuremath{\eta}}_{\mathrm{AF}}=0.44\ifmmode\pm\else\textpm\fi{}0.03$. As UUU further increases, the valence bond solid ordering appears exhibiting the anomalous dimension ${\ensuremath{\eta}}_{\mathrm{VBS}}=0.98\ifmmode\pm\else\textpm\fi{}0.01$.