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arXiv:1903.01701 · Physical review. B./Physical review. B

Metal-insulator transition and dominant d + i d pairing symmetry in twisted bilayer graphene

Wanying Chen, Yonghuan Chu, Tongyun Huang, Tianxing Ma

Published Apr 14, 2020• 26 citations
arXivHTMLPDF

Abstract

Motivated by recent experimental studies that have found signatures of a correlated insulator phase and tuning superconductivity in twisted bilayer graphene, we study the temperature-dependent conductivity, the spin correlation, and the superconducting pairing correlation within a two-orbital Hubbard model on an emergent honeycomb lattice. The evaluation of the temperature dependence of the conductivity demonstrates that there is a metal-insulator transition and the Mott phase at strong coupling is accompanied by antiferromagnetic order. The electronic correlation drives a $d+id$ superconducting pairing to be dominant over a wide filling region. All of the dc conductivity, the spin correlation, and the superconductivity are suppressed as the interlayer coupling strength increases, and the critical ${U}_{c}$ for the metal-insulator transition is also reduced. Our intensive numerical results reveal that twisted bilayer graphene should be a uniquely tunable platform for exploring strongly correlated phenomena.

DOI
10.1103/physrevb.101.155413

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Motivated by recent experimental studies that have found signatures of a correlated insulator phase and tuning superconductivity in twisted bilayer graphene, we study the temperature-dependent conductivity, the spin correlation, and the superconducting pairing correlation within a two-orbital Hubbard model on an emergent honeycomb lattice. The evaluation of the temperature dependence of the conductivity demonstrates that there is a metal-insulator transition and the Mott phase at strong coupling is accompanied by antiferromagnetic order. The electronic correlation drives a d+idd+idd+id superconducting pairing to be dominant over a wide filling region. All of the dc conductivity, the spin correlation, and the superconductivity are suppressed as the interlayer coupling strength increases, and the critical Uc{U}_{c}Uc​ for the metal-insulator transition is also reduced. Our intensive numerical results reveal that twisted bilayer graphene should be a uniquely tunable platform for exploring strongly correlated phenomena.
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Motivated by the recently experimental reported signatures of the tunable Mott insulating state and superconductivity in an ABC graphene trilayer superlattice, we investigate the charge compressibility, the spin correlation, and the superconducting instability within the Hubbard model on a three-layer honeycomb lattice. It is found that an antiferromagnetically ordered Mott insulator emerges beyond a critical Uc{U}_{c}Uc​ at half-filling, and the electronic correlation drives a d+idd+idd+id superconducting pairing to be dominant over other pairing patterns in a wide doped region. The effective pairing interaction with d+idd+idd+id pairing symmetry is strongly enhanced with the increasing of on-site interaction and suppressed as the interlayer coupling strength increases. Our intensive numerical results demonstrate that the insulating state and superconductivity in an ABC graphene trilayer are driven by strong electric correlation, and it may offer an attractive systems to explore rich correlated behaviors.
Motivated by the recent novel electronic features extracted from the magic-angle graphene superlattices, we studied the ground state superconducting pairing correlations within the Hubbard model on a twisted bilayer honeycomb lattice. Using Constrained-Path Quantum Monte Carlo method, we found that the [Formula: see text] pairing correlation dominates over other pairing patterns among various electron fillings and interaction strengths, and the effective pairing interaction was enhanced as the on-site Coulomb interaction increased. We further examined the effect of the nearest neighbor interaction [Formula: see text], and the effective pairing interaction with [Formula: see text] pairing symmetry was also enhanced by either a repulsive or attractive interaction. Our intensive numerical results confirm the interaction driven superconductivity with a dominant [Formula: see text] pairing symmetry in twisted bilayer graphene.
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Inspired by the recent discovery of correlated insulating states in twisted bilayer graphene, we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix renormalization group simulation, we identify a metal-insulator transition around U_{c}/t=2.5-3. In the vicinity of U_{c}, we find strong spin-orbital density wave fluctuations at commensurate wave vectors, accompanied by weaker incommensurate charge density wave fluctuations. The spin-orbital density wave fluctuations are enhanced with increasing system sizes, suggesting the possible emergence of long-range order in the two-dimensional limit. At larger U, our calculations indicate a possible nonmagnetic Mott insulator phase without spin or orbital polarization. Our findings offer new insight into correlated electron phenomena in twisted bilayer graphene and other multiorbital honeycomb materials.
We investigated the honeycomb lattice using a two-orbital (α and β) Hubbard model and many-body exact calculations. The spin gap (Δ s ), charge gap (Δ c ), intrasite ( γ i i α β = ⟨ S → i α · S → i β ⟩ ), intersite ( γ i j α β = ⟨ S → i α · S → j β ⟩ ), spin–spin correlations, and orbital magnetic moments μ iα are analyzed for different band-filling ( n ), which denotes the number of electrons per site. Special attention was set in one-quarter-filled ( n = 1) and half-filled ( n = 2) bands. The results are presented by varying Coulomb repulsion ( U), Hund’s coupling ( J H ), external magnetic field ( B ), and orbital energy splitting (Δϵ). For the one-quarter-filled band, an intrasite magnetic disorder ( γ i i α β ≈ 0 ) begins to form for large values of U / t, which is interpreted as a possible signature of a resonating valence bond state. Full orbital polarization ( γ i i α β = 0.25 ) with intersite antiferromagnetic (AFM) order ( γ i j α β = − 0.25 ) was observed in the half-filled band for U / t ≫ 1, indicating that the two-orbital Hubbard model can be mapped to an AFM Heisenberg model with S = 1. The increase of J H is conductive to insulating and metallic phases for half- and one-quarter-filled bands, respectively. For a fractional n, the honeycomb lattice can exhibit spin-glass-like behavior, predominating as a disordered magnetic system characterized by random values of γ i j α β . The magnetic field induced a reduction in Δ c, which became zero at the critical external magnetic field. Twisted bilayer graphene (TBG) exhibits approximately flat electronic bands at magic angles and interesting correlated phenomena, such as unconventional superconductivity and correlated insulating states around n = 1 and n = 2, respectively. The dominance of electron–electron interactions in TBG makes the Hubbard model, in various versions (extended or multi-orbital), offer a practical, structure-scale account for investigating many-body effects in large moiré unit cells, where first-principles density-functional theory calculations are computationally challenging.