arXiv subjects

Stefan Wessel

Publications and source records attributed to Stefan Wessel.

At least 73 records · Page 4Linked to original sources

arXiv2015

Mott transition in the triangular lattice Hubbard model: a dynamical cluster approximation study

Based on dynamical cluster approximation (DCA) quantum Monte Carlo simulations, we study the interaction-driven Mott metal-insulator transition (MIT) in the half-filled Hubbard model on the anisotropic two-dimensional triangular lattice, where the degree of frustration is varied between the unfrustrated case and the fully frustrated, isotropic triangular lattice. Upon increasing the DCA cluster size, we analyze the evolution of the MIT phase boundary as a function of frustration in the phase diagram spanned by the interaction strength and temperature, and provide a quantitative description of the MIT phase boundary in the triangular lattice Hubbard model. Qualitative differences in the phase boundary between the unfrustrated and fully frustrated cases are exhibited. In particular, a change in the sign of the phase boundary slope is observed, which via an impurity cluster eigenstate analysis, may be related to a change in the nature of the insulating state. We discuss our findings within the scenario that the triangular lattice electron system might exhibit a quantum critical Mott MIT with a possible quantum spin liquid insulating state, such as considered for the organic charge transfer salts $κ$-(BEDT-TTF)$_{2}$Cu$_{2}$(CN)$_{3}$ and EtMe$_{3}$Sb[Pd(dmit)$_{2}$]$_{2}$.

cond-mat.str-el↗

arXiv2014

Spin dynamics of the bilinear-biquadratic $S=1$ Heisenberg model on the triangular lattice: a quantum Monte Carlo study

We study thermodynamic properties as well as the dynamical spin and quadrupolar structure factors of the O(3)-symmetric spin-1 Heisenberg model with bilinear-biquadratic exchange interactions on the triangular lattice. Based on a sign-problem-free quantum Monte Carlo approach, we access both the ferromagnetic and the ferroquadrupolar ordered, spin nematic phase as well as the SU(3)-symmetric point which separates these phases. Signatures of Goldstone soft-modes in the dynamical spin and the quadrupolar structure factors are identified, and the properties of the low-energy excitations are compared to the thermodynamic behavior observed at finite temperatures as well as to Schwinger-boson flavor-wave theory.

cond-mat.str-el↗

arXiv2014

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.

cond-mat.str-el↗

arXiv2014

Corner contribution to the entanglement entropy of strongly-interacting O(2) quantum critical systems in 2+1 dimensions

In a D=2+1 quantum critical system, the entanglement entropy across a boundary with a corner contains a subleading logarithmic scaling term with a universal coefficient. It has been conjectured that this coefficient is, to leading order, proportional to the number of field components N in the associated O(N) continuum $ϕ^4$ field theory. Using density matrix renormalization group calculations combined with the powerful numerical linked cluster expansion technique, we confirm this scenario for the O(2) Wilson-Fisher fixed point in a striking way, through direct calculation at the quantum critical points of two very different microscopic models. The value of this corner coefficient is, to within our numerical precision, twice the coefficient of the Ising fixed point. Our results add to the growing body of evidence that this universal term in the Rényi entanglement entropy reflects the number of low-energy degrees of freedom in a system, even for strongly interacting theories.

cond-mat.str-el↗

arXiv2014

Entanglement entropy scaling in the bilayer Heisenberg spin system

We examine the entanglement properties of the spin-half Heisenberg model on the two-dimensional square-lattice bilayer based on quantum Monte Carlo calculations of the second Rényi entanglement entropy. In particular, we extract the dominant area-law contribution to the bipartite entanglement entropy that shows a non-monotonous behavior upon increasing the inter-layer exchange interaction: a local maximum in the area-law coefficient is located at the quantum critical point separating the antiferromagnetically ordered region from the disordered dimer-singlet regime. Furthermore, we consider subleading logarithmic corrections to the Rényi entanglement entropy scaling. Employing different subregion shapes, we isolate the logarithmic corner term from the logarithmic contribution due to Goldstone modes that is found to be enhanced in the limit of decoupled layers. At the quantum critical point, we estimate a contribution of $0.016(1)$ due to each $90^{\circ}$ corner. This corner term at the SU(2) quantum critical point deviates from the Gaussian theory value, while it compares well with recent numerical linked cluster calculations on the bilayer model.

cond-mat.str-el↗

arXiv2014

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.

cond-mat.mes-hall↗

arXiv2013

Thermal phase transitions in a honeycomb lattice gas with three-body interactions

We study the thermal phase transitions in a classical (hard-core) lattice gas model with nearest-neighbor three-body interactions on the honeycomb lattice, based on parallel tempering Monte Carlo simulations. This system realizes incompressible low-temperature phases at fractional fillings of 9/16, 5/8 and 3/4 that were identified in a previous study of a related quantum model. In particular, both the 9/16 and the 5/8 phase exhibit an extensive ground state degeneracy reflecting the frustrated nature of the three-body interactions on the honeycomb lattice. The thermal melting of the 9/16 phase is found to be a first-order, discontinuous phase transition. On the other hand, from the thermodynamic behavior we obtain indications for a four-states Potts-model thermal transition out of the 5/8 phase. Employing an exact mapping to a hard-core dimer model on an embedded honeycomb super-lattice, we find that this thermal Potts-model transition relates to the selection of one out of four extensive sectors within the low-energy manifold of the 5/8 phase.

cond-mat.stat-mech↗

arXiv2013

Dimerized Solids and Resonating Plaquette Order in SU(N)-Dirac Fermions

We study the quantum phases of fermions with an explicit SU(N)-symmetric, Heisenberg-like nearest-neighbor flavor exchange interaction on the honeycomb lattice at half-filling. Employing projective (zero temperature) quantum Monte Carlo simulations for even values of N, we explore the evolution from a weak-coupling semimetal into the strong-coupling, insulating regime. Furthermore, we compare our numerical results to a saddle-point approximation in the large-N limit. From the large-N regime down to the SU(6) case, the insulating state is found to be a columnar valence bond crystal, with a direct transition to the semimetal at weak, finite coupling, in agreement with the mean-field result in the large-N limit. At SU(4) however, the insulator exhibits a subtly different valence bond crystal structure, stabilized by resonating valence bond plaquettes. In the SU(2) limit, our results support a direct transition between the semimetal and an antiferromagnetic insulator.

cond-mat.str-el↗

arXiv2013

Magnetic Correlations in Short and Narrow Graphene Armchair Nanoribbons

Electronic states at the ends of a narrow armchair nanoribbon give rise to a pair of non-locally entangled spins. We propose two experiments to probe these magnetic states, based on magnetometry and tunneling spectroscopy, in which correlation effects lead to a striking, nonlinear response to external magnetic fields. On the basis of low-energy theories that we derive here, it is remarkably simple to assess these nonlinear signatures for magnetic edge states. The effective theories are especially suitable in parameter regimes where other methods such as quantum Monte-Carlo simulations are exceedingly difficult due to exponentially small energy scales. The armchair ribbon setup discussed here provides a promisingly well-controlled (both experimentally and theoretically) environment for studying the principles behind edge magnetism in graphene-based nano-structures.

cond-mat.mes-hall↗

arXiv2013

Quantum Monte Carlo studies of edge magnetism in chiral graphene nanoribbons

We investigate chiral graphene nanoribbons using projective quantum Monte Carlo simulations within the local Hubbard model description and study the effects of electron-electron interactions on the electronic and magnetic properties at the ribbon edges. Static and dynamical properties are analyzed for nanoribbons of varying width and edge chirality, and compared to a self-consistent Hartee-Fock mean-field approximation. Our results show that for chiral ribbons of sufficient width, the spin correlations exhibit exceedingly long correlation lengths, even between zigzag segments that are well separated by periodic armchair regions. Characteristic enhancements in the magnetic correlations for distinct ribbon widths and chiralities are associated with energy gaps in the tight-binding limit of such ribbons. We identify specific signatures in the local density of states and low- energy modes in the local spectral function which directly relate to enhanced electronic correlations along graphene nanoribbons and which can be accessed scanning tunneling spectroscopy.

cond-mat.mes-hall↗

arXiv2013

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.

cond-mat.str-el↗

arXiv2013

Z2 topological invariants in two dimensions from quantum Monte Carlo

We employ quantum Monte Carlo techniques to calculate the $Z_2$ topological invariant in a two-dimensional model of interacting electrons that exhibits a quantum spin Hall topological insulator phase. In particular, we consider the parity invariant for inversion-symmetric systems, which can be obtained from the bulk's imaginary-time Green's function after an appropriate continuation to zero frequency. This topological invariant is used here in order to study the trivial-band to topological-insulator transitions in an interacting system with spin-orbit coupling and an explicit bond dimerization. We discuss the accessibility and behavior of this topological invariant within quantum Monte Carlo simulations.

cond-mat.str-el↗

arXiv2012

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.

cond-mat.str-el↗

arXiv2012

Adiabatic loading of one-dimensional SU(N) alkaline earth fermions in optical lattices

Ultracold fermionic alkaline earth atoms confined in optical lattices realize Hubbard models with internal SU(N) symmetries, where N can be as large as ten. Such systems are expected to harbor exotic magnetic physics at temperatures below the superexchange energy scale. Employing quantum Monte Carlo simulations to access the low-temperature regime, we show that after adiabatically loading a weakly interacting gas into the strongly interacting regime of an optical lattice, the final temperature decreases with increasing N. Furthermore, we estimate the temperature scale required to probe correlations associated with low-temperature SU(N) magnetism. Our findings are encouraging for the exploration of exotic large-N magnetic states in ongoing experiments.

cond-mat.quant-gas↗

arXiv2012

Anomalous Behavior of Spin Systems with Dipolar Interactions

We study the properties of spin systems realized by cold polar molecules interacting via dipole-dipole interactions in two dimensions. Using a spin wave theory, that allows for the full treatment of the characteristic long-distance tail of the dipolar interaction, we find several anomalous features in the ground state correlations and the spin wave excitation spectrum, which are absent in their counterparts with short range interaction. The most striking consequence is the existence of true long-range order at finite temperature for a two-dimensional phase with a broken U(1) symmetry.

cond-mat.quant-gas↗

arXiv2012

Critical scales in anisotropic spin systems from functional renormalization

We apply a recently developed functional renormalization group (fRG) scheme for quantum spin systems to the spin-1/2 antiferromagnetic XXZ model on a two-dimensional square lattice. Based on an auxiliary fermion representation we derive flow equations which allow a resummation of the perturbation series in the spin-spin interactions. Spin susceptibilities are calculated for different values of the anisotropy parameter. The phase transition between planar and axial ordering at the isotropic point is reproduced correctly. The results for the critical scales from the fRG as quantitative measures for the ordering temperatures are in good agreement with the exact solution in the Ising limit. On the easy-plane side, the deviations from critical temperatures obtained with quantum Monte Carlo are larger but still acceptable. However, at the isotropic point the Mermin-Wagner theorem is violated such that a precise description of the behavior in the vicinity of the phase transition is not possible. We discuss possible reasons for these discrepanies.

cond-mat.str-el↗

arXiv2012

Interaction-range effects for fermions in one dimension

Experiments on quasi-one-dimensional systems such as quantum wires and metallic chains on surfaces suggest the existence of electron-electron interactions of substantial range and hence physics beyond the Hubbard model. We therefore investigate one-dimensional, quarter-filled chains with a Coulomb potential with variable screening length by quantum Monte Carlo methods and exact diagonalization. The Luttinger liquid interaction parameter K_rho decreases with increasing interaction strength and range. Experimentally observed values close to 1/4 require strong interactions and/or large screening lengths. As predicted by bosonization, we find a metal-insulator transition at K_rho=1/4. Upon increasing the screening length, the charge and spin correlation functions reveal the crossover from dominant 2k_F spin correlations to dominant 4k_F charge correlations, and a strong enhancement of the charge velocity. In the metallic phase, the signatures of spin-charge separation in the single-particle spectrum, spinon and holon bands, remain robust even for rather long-ranged interactions. The charge-density-wave state exhibits backfolded shadow bands.

cond-mat.str-el↗

arXiv2012

Geometry fluctuations in a two-dimensional quantum antiferromagnet

The paper considers the effects of random fluctuations of the local spin connectivities (fluctuations of the geometry) on ground state properties of a two-dimensional quantum antiferromagnet. We analyse the behavior of spins described by the Heisenberg model as a function of what we call phason flip disorder, following a terminology used for aperiodic systems. The calculations were carried out both within linear spin wave theory and using quantum Monte Carlo simulations. An "order by disorder" phenomenon is observed in this model, wherein antiferromagnetism is found to be enhanced by phason disorder. The value of the staggered order parameter increases with the number of defects, accompanied by an increase in the ground state energy of the system.

cond-mat.str-el↗