Nonlocal density interactions in auxiliary-field quantum Monte Carlo simulations: application to the square lattice bilayer and honeycomb lattice

We consider an efficient scheme to simulate fermionic Hubbard models with nonlocal density-density interactions in two dimensions, based on bond-centered auxiliary-field quantum Monte Carlo. The simulations are shown to be sign-problem free within a finite, restricted parameter range. Using this approach, we first study the Hubbard model on the half-filled square lattice bilayer, including an interlayer repulsion term in addition to the local repulsion, and present the ground state phase diagram within the accessible parameter region. Starting from the antiferromagnetically ordered state in the absence of interlayer repulsion, the interlayer interactions are found to destabilize the antiferromagnetic order, leading to a band insulator state. Moreover, for sufficiently strong interlayer tunneling, we also observe the emergence of a direct dimer product state of mixed D-Mott and S-Mott character along the equal coupling line. We discuss the stability range of this state within strong-coupling perturbation theory. Furthermore, we consider the Hubbard model on the honeycomb lattice with next-nearest-neighbor interactions. Such an interaction is found to enhance both charge density and spin-current correlations within the semimetallic region. However, inside the accessible parameter region, they do not stabilize long-ranged charge density wave order nor a quantum spin Hall state, and the only insulating state that we observe exhibits long-range antiferromagnetism.Comment: 12 pages, 14 figure

Quantum Nature of Edge Magnetism in Graphene

It is argued that the subtle crossover from decoherence-dominated classical magnetism to fluctuation-dominated quantum magnetism is experimentally accessible in graphene nanoribbons. We show that the width of a nanoribbon determines whether the edge magnetism is on the classical side, on the quantum side, or in between. In the classical regime, decoherence is dominant and leads to static spin polarizations at the ribbon edges, which are well described by mean-field theories. The quantum Zeno effect is identified as the basic mechanism which is responsible for the spin polarization and thereby enables the application of graphene in spintronics. On the quantum side, however, the spin polarization is destroyed by dynamical processes. The great tunability of graphene magnetism thus offers a viable route for the study of the quantum-classical crossover.Comment: 5 pages, 3 figure

Bond-ordered states and ff-wave pairing of spinless fermions on the honeycomb lattice

Spinless fermions on the honeycomb lattice with repulsive nearest-neighbor interactions are known to harbour a quantum critical point at half-filling, with critical behaviour in the Gross-Neveu (chiral Ising) universality class. The critical interaction strength separates a weak-coupling semimetallic regime from a commensurate charge-density-wave phase. The phase diagram of this basic model of correlated fermions on the honeycomb lattice beyond half-filling is, however, less well established. Here, we perform an analysis of its many-body instabilities using the functional renormalization group method with a basic Fermi surface patching scheme, which allows us to treat instabilities in competing channels on equal footing also away from half-filling. Between half-filling and the van-Hove filling, the free Fermi surface is hole-like and we again find a charge-density wave instability to be dominant at large interactions. Moreover, its characteristics are those of the half-filled case. Directly at the van-Hove filling the nesting property of the free Fermi surface stabilizes a dimerized bond-order phase. At lower filling the free Fermi surface becomes electron-like and a superconducting instability with $f$-wave symmetry is found to emerge from the interplay of intra-unitcell repulsion and collective fluctuations in the proximity to the charge-density wave instability. We estimate the extent of the various phases and extract the corresponding order parameters from the effective low-energy Hamiltonians.Comment: 11 pages, 11 figure

Ground state phase diagram of the half-filled bilayer Hubbard model

Employing a combination of functional renormalization group calculations and projective determinantal quantum Monte Carlo simulations, we examine the Hubbard model on the square lattice bilayer at half filling. From this combined analysis, we obtain a comprehensive account on the ground state phase diagram with respect to the extent of the system's metallic and (antiferromagnetically ordered) Mott-insulating as well as band-insulating regions. By means of an unbiased functional renormalization group approach, we exhibit the antiferromagnetic Mott-insulating state as the relevant instability of the free metallic state, induced by any weak finite onsite repulsion. Upon performing a careful analysis of the quantum Monte Carlo data, we resolve the difficulty of identifying this antiferromagnetic ground state for finite interlayer hopping in the weak-coupling regime, where nonmonotonous finite-size corrections are shown to relate to the two-sheeted Fermi surface structure of the metallic phase. On the other hand, quantum Monte Carlo simulations are well suited to identify the transition between the Mott-insulating phase and the band insulator in the intermediate-to-strong coupling regime. Here, we compare our numerical findings to indications for the transition region obtained from the functional renormalization group procedure.Comment: 12 pages, 15 figure

Effective models for strong electronic correlations at graphene edges

We describe a method for deriving effective low-energy theories of electronic interactions at graphene edges. Our method is applicable to general edges of honeycomb lattices (zigzag, chiral, and even disordered) as long as localized low-energy states (edge states) are present. The central characteristic of the effective theories is a dramatically reduced number of degrees of freedom. As a consequence, the solution of the effective theory by exact diagonalization is feasible for reasonably large ribbon sizes. The quality of the involved approximations is critically assessed by comparing the correlation functions obtained from the effective theory with numerically exact quantum Monte-Carlo calculations. We discuss effective theories of two levels: a relatively complicated fermionic edge state theory and a further reduced Heisenberg spin model. The latter theory paves the way to an efficient description of the magnetic features in long and structurally disordered graphene edges beyond the mean-field approximation.Comment: 13 pages, 9 figure

Bathymetry of the Pacific plate and its implications for thermal evolution of lithosphere and mantle dynamics

A long-standing question in geodynamics is the cause of deviations of ocean depth or seafloor topography from the prediction of a cooling half-space model (HSC). Are the deviations caused entirely by mantle plumes or lithospheric reheating associated with sublithospheric small-scale convection or some other mechanisms? In this study we analyzed the age and geographical dependences of ocean depth for the Pacific plate, and we removed the effects of sediments, seamounts, and large igneous provinces (LIPs), using recently available data sets of high-resolution bathymetry, sediments, seamounts, and LIPs. We found that the removal of seamounts and LIPs results in nearly uniform standard deviations in ocean depth of ∼300 m for all ages. The ocean depth for the Pacific plate with seamounts, LIPs, the Hawaiian swell, and South Pacific super-swell excluded can be fit well with a HSC model till ∼80–85 Ma and a plate model for older seafloor, particularly, with the HSC-Plate depth-age relation recently developed by Hillier and Watts (2005) with an entirely different approach for the North Pacific Ocean. A similar ocean depth-age relation is also observed for the northern region of our study area with no major known mantle plumes. Residual topography with respect to Hillier and Watts' HSC-Plate model shows two distinct topographic highs: the Hawaiian swell and South Pacific super-swell. However, in this residual topography map, the Darwin Rise does not display anomalously high topography except the area with seamounts and LIPs. We also found that the topography estimated from the seismic model of the Pacific lithosphere of Ritzwoller et al. (2004) generally agrees with the observed topography, including the reduced topography at relatively old seafloor. Our analyses show that while mantle plumes may be important in producing the Hawaiian swell and South Pacific super-swell, they cannot be the only cause for the topographic deviations. Other mechanisms, particularly lithospheric reheating associated with “trapped” heat below old lithosphere (Huang and Zhong, 2005), play an essential role in causing the deviations in topography from the HSC model prediction

HTLV-1 Tax-1 interacts with SNX27 to regulate cellular localization of the HTLV-1 receptor molecule, GLUT1

An estimated 10–20 million people worldwide are infected with human T cell leukemia virus type 1 (HTLV-1), with endemic areas of infection in Japan, Australia, the Caribbean, and Africa. HTLV-1 is the causative agent of adult T cell leukemia (ATL) and HTLV-1 associated myopathy/tropic spastic paraparesis (HAM/TSP). HTLV-1 expresses several regulatory and accessory genes that function at different stages of the virus life cycle. The regulatory gene Tax-1 is required for efficient virus replication, as it drives transcription of viral gene products, and has also been demonstrated to play a key role in the pathogenesis of the virus. Several studies have identified a PDZ binding motif (PBM) at the carboxyl terminus of Tax-1 and demonstrated the importance of this domain for HTLV-1 induced cellular transformation. Using a mass spectrometry-based proteomics approach we identified sorting nexin 27 (SNX27) as a novel interacting partner of Tax-1. Further, we demonstrated that their interaction is mediated by the Tax-1 PBM and SNX27 PDZ domains. SNX27 has been shown to promote the plasma membrane localization of glucose transport 1 (GLUT1), one of the receptor molecules of the HTLV-1 virus, and the receptor molecule required for HTLV-1 fusion and entry. We postulated that Tax-1 alters GLUT1 localization via its interaction with SNX27. We demonstrate that over expression of Tax-1 in cells causes a reduction of GLUT1 on the plasma membrane. Furthermore, we show that knockdown of SNX27 results in increased virion release and decreased HTLV-1 infectivity. Collectively, we demonstrate the first known mechanism by which HTLV-1 regulates a receptor molecule post-infection.</div

Antiferromagnetism in the Hubbard Model on the Bernal-stacked Honeycomb Bilayer

Using a combination of quantum Monte Carlo simulations, functional renormalization group calculations and mean-field theory, we study the Hubbard model on the Bernal-stacked honeycomb bilayer at half-filling as a model system for bilayer graphene. The free bands consisting of two Fermi points with quadratic dispersions lead to a finite density of states at the Fermi level, which triggers an antiferromagnetic instability that spontaneously breaks sublattice and spin rotational symmetry once local Coulomb repulsions are introduced. Our results reveal an inhomogeneous participation of the spin moments in the ordered ground state, with enhanced moments at the three-fold coordinated sites. Furthermore, we find the antiferromagnetic ground state to be robust with respect to enhanced interlayer couplings and extended Coulomb interactions.Comment: 4+ pages, 4 figures; final versio