arXiv subjects

Holger Fehske

Publications and source records attributed to Holger Fehske.

At least 91 records · Page 5Linked to original sources

arXiv2015

Competition between excitonic charge and spin density waves: Influence of electron-phonon and Hund's rule couplings

We analyze the stability of excitonic ground states in the two-band Hubbard model with additional electron-phonon and Hund's rule couplings using a combination of mean-field and variational cluster approaches. We show that both the interband Coulomb interaction and the electron-phonon interaction will cooperatively stabilize a charge density wave (CDW) state which typifies an "excitonic" CDW if predominantly triggered by the effective interorbital electron-hole attraction or a "phononic" CDW if mostly caused by the coupling to the lattice degrees of freedom. By contrast, the Hund's rule coupling promotes an excitonic spin density wave. We determine the transition between excitonic charge and spin density waves and comment on a fixation of the phase of the excitonic order parameter that would prevent the formation of a superfluid condensate of excitons. The implications for exciton condensation in several material classes with strongly correlated electrons are discussed.

cond-mat.str-el↗

arXiv2015

Criticality at the Haldane-insulator charge-density-wave quantum phase transition

Exploiting the entanglement concept within a matrix-product-state based infinite density-matrix renormalization group approach, we show that the spin-density-wave and bond-order-wave ground states of the one-dimensional half-filled extended Hubbard model give way to a symmetry-protected topological Haldane state in case an additional alternating ferromagnetic spin interaction is added. In the Haldane insulator the lowest entanglement level features a characteristic twofold degeneracy. Increasing the ratio between nearest-neighbor and local Coulomb interaction $V/U$, the enhancement of the entanglement entropy, the variation of the charge, spin and neutral gaps, and the dynamical spin/density response signal a quantum phase transition to a charge-ordered state. Below a critical point, which belongs to the universality class of the tricritical Ising model with central charge 7/10, the model is critical with $c=1/2$ along the transition line. Above this point, the transition between the Haldane insulator and charge-density-wave phases becomes first order.

cond-mat.str-el↗

arXiv2015

Performance Engineering of the Kernel Polynomial Method on Large-Scale CPU-GPU Systems

The Kernel Polynomial Method (KPM) is a well-established scheme in quantum physics and quantum chemistry to determine the eigenvalue density and spectral properties of large sparse matrices. In this work we demonstrate the high optimization potential and feasibility of peta-scale heterogeneous CPU-GPU implementations of the KPM. At the node level we show that it is possible to decouple the sparse matrix problem posed by KPM from main memory bandwidth both on CPU and GPU. To alleviate the effects of scattered data access we combine loosely coupled outer iterations with tightly coupled block sparse matrix multiple vector operations, which enables pure data streaming. All optimizations are guided by a performance analysis and modelling process that indicates how the computational bottlenecks change with each optimization step. Finally we use the optimized node-level KPM with a hybrid-parallel framework to perform large scale heterogeneous electronic structure calculations for novel topological materials on a petascale-class Cray XC30 system.

cs.CE↗

arXiv2015

Entangled light from driven dissipative microcavities

We study the generation of entangled light in planar semiconductor microcavities. The focus is on a particular pump configuration where the dissipative internal polariton dynamics leads to the emission of entangled light in a W-state. Our study is based on the nonlinear equations of motion for the polariton operators derived within the dynamics-controlled truncation formalism. They include the losses through the cavity mirrors, the interaction with lattice vibrations, and the external laser driving in a Langevin approach. We find that the generated entanglement is robust against decoherence under realistic experimental conditions. The results show that pair correlations in solid-state devices can be used to stabilize the nonlocal properties of the emitted radiation.

quant-ph↗

arXiv2015

Comparative density-matrix renormalization group study of symmetry-protected topological phases in spin-1 chain and Bose-Hubbard models

We reexamine the one-dimensional spin-1 $XXZ$ model with on-site uniaxial single-ion anisotropy as to the appearance and characterization of the symmetry-protected topological Haldane phase. By means of large-scale density-matrix renormalization group (DMRG) calculations the central charge can be determined numerically via the von Neumann entropy, from which the ground-sate phase diagram of the model can be derived with high precision. The nontrivial gapped Haldane phase shows up in between the trivial gapped even Haldane and N{é}el phases, appearing at large single-ion and spin--exchange interaction anisotropies, respectively. We furthermore carve out a characteristic degeneracy of the lowest entanglement level in the topological Haldane phase, which is determined using a conventional finite-system DMRG technique with both periodic and open boundary conditions. Defining the spin and neutral gaps in analogy to the single-particle and neutral gaps in the intimately connected extended Bose-Hubbard model, we show that the excitation gaps in the spin model qualitatively behave just as for the bosonic system. We finally compute the dynamical spin structure factor in the three different gapped phases and find significant differences in the intensity maximum which might be used to distinguish these phases experimentally.

cond-mat.str-el↗

arXiv2014

Spectral and Entanglement Properties of the Bosonic Haldane Insulator

We discuss the existence of a nontrivial topological phase in one-dimensional interacting systems described by the extended Bose-Hubbard model with a mean filling of one boson per site. Performing large-scale density-matrix renormalization group calculations we show that the presence of nearest-neighbor repulsion enriches the ground-state phase diagram of the paradigmatic Bose-Hubbard model by stabilizing a novel gapped insulating state, the so-called Haldane insulator, which, embedded into superfluid, Mott insulator, and density wave phases, is protected by the lattice inversion symmetry. The quantum phase transitions between the different insulating phases were determined from the central charge via the von Neumann entropy. The Haldane phase reveals a characteristic fourfold degeneracy of the entanglement spectrum. We finally demonstrate that the intensity maximum of the dynamical charge structure factor, accessible by Bragg spectroscopy, features the gapped dispersion known from the spin-1 Heisenberg chain.

cond-mat.quant-gas↗

arXiv2014

Linear response within the projection-based renormalization method: Many-body corrections beyond the random phase approximation

The explicit evaluation of linear response coefficients for interacting many-particle systems still poses a considerable challenge to theoreticians. In this work we use a novel many-particle renormalization technique, the so-called projector-based renormalization method, to show how such coefficients can systematically be evaluated. To demonstrate the prospects and power of our approach we consider the dynamical wave-vector dependent spin susceptibility of the two-dimensional Hubbard model and also determine the subsequent magnetic phase diagram close to half-filling. We show that the superior treatment of (Coulomb) correlation and fluctuation effects within the projector-based renormalization method significantly improves the standard random phase approximation results.

cond-mat.str-el↗

arXiv2014

A unified sparse matrix data format for efficient general sparse matrix-vector multiply on modern processors with wide SIMD units

Sparse matrix-vector multiplication (spMVM) is the most time-consuming kernel in many numerical algorithms and has been studied extensively on all modern processor and accelerator architectures. However, the optimal sparse matrix data storage format is highly hardware-specific, which could become an obstacle when using heterogeneous systems. Also, it is as yet unclear how the wide single instruction multiple data (SIMD) units in current multi- and many-core processors should be used most efficiently if there is no structure in the sparsity pattern of the matrix. We suggest SELL-C-sigma, a variant of Sliced ELLPACK, as a SIMD-friendly data format which combines long-standing ideas from General Purpose Graphics Processing Units (GPGPUs) and vector computer programming. We discuss the advantages of SELL-C-sigma compared to established formats like Compressed Row Storage (CRS) and ELLPACK and show its suitability on a variety of hardware platforms (Intel Sandy Bridge, Intel Xeon Phi and Nvidia Tesla K20) for a wide range of test matrices from different application areas. Using appropriate performance models we develop deep insight into the data transfer properties of the SELL-C-sigma spMVM kernel. SELL-C-sigma comes with two tuning parameters whose performance impact across the range of test matrices is studied and for which reasonable choices are proposed. This leads to a hardware-independent ("catch-all") sparse matrix format, which achieves very high efficiency for all test matrices across all hardware platforms.

cs.MS↗

arXiv2014

Infrared light extinction by charged dielectric core-coat particles

We study the effect of surplus electrons on the infrared extinction of dielectric particles with a core-coat structure and propose to use it for an optical measurement of the particle charge in a dusty plasma. The particles consist of an inner core with negative and an outer coat with positive electron affinity. Both the core and the coat give rise to strong transverse optical phonon resonances, leading to anomalous light scattering in the infrared. Due to the radial profile of the electron affinity electrons accumulate in the coat region making the infrared extinction of this type of particles very charge-sensitive, in particular, the extinction due to a resonance arising solely due to the core-coat structure. The maximum of this resonance is in the far-infrared and responds to particle charges realizable in ordinary dusty laboratory plasmas.

physics.plasm-ph↗

arXiv2013

Charge-density-wave formation in the Edwards fermion-boson model at one-third band filling

We examine the ground-state properties of the one-dimensional Edwards spinless fermion transport model by means of large-scale density-matrix renormalization-group calculations. Determining the single-particle gap and the Tomonaga-Luttinger liquid parameter ($K_ρ$) at zero temperature, we prove the existence of a metal-to-insulator quantum phase transition at one-third band filling. The insulator---established by strong correlation in the background medium---typifies a charge density wave (CDW) that is commensurate with the band filling. $K_ρ=2/9$ is very small at the quantum critical point, and becomes $K_ρ^{\rm CDW}=1/9$ in the infinitesimally doped three-period CDW, as predicted by the bosonization approach.

cond-mat.str-el↗

arXiv2013

Surface electrons at plasma walls

In this chapter we introduce a microscopic modelling of the surplus electrons on the plasma wall which complements the classical description of the plasma sheath. First we introduce a model for the electron surface layer to study the quasistationary electron distribution and the potential at an unbiased plasma wall. Then we calculate sticking coefficients and desorption times for electron trapping in the image states. Finally we study how surplus electrons affect light scattering and how charge signatures offer the possibility of a novel charge measurement for dust grains.

physics.plasm-ph↗

arXiv2012

Condensation of Excitons in Cu2O at Ultracold Temperatures: Experiment and Theory

We present experiments on the luminescence of excitons confined in a potential trap at milli-Kelvin bath temperatures under cw-excitation. They reveal several distinct features like a kink in the dependence of the total integrated luminescence intensity on excitation laser power and a bimodal distribution of the spatially resolved luminescence. Furthermore, we discuss the present state of the theoretical description of Bose-Einstein condensation of excitons with respect to signatures of a condensate in the luminescence. The comparison of the experimental data with theoretical results with respect to the spatially resolved as well as the integrated luminescence intensity shows the necessity of taking into account a Bose-Einstein condensed excitonic phase in order to understand the behaviour of the trapped excitons.

cond-mat.quant-gas↗

arXiv2012

Effect of Electron-Phonon Interaction Range for a Half-Filled Band in One Dimension

We demonstrate that fermion-boson models with nonlocal interactions can be simulated at finite band filling with the continuous-time quantum Monte Carlo method. We apply this method to explore the influence of the electron-phonon interaction range for a half-filled band in one dimension, covering the full range from the Holstein to the Fröhlich regime. The phase diagram contains metallic, Peierls, and phase-separated regions, which we characterize in terms of static and dynamical correlation functions. In particular, our results reveal a suppression of $2k_F$ charge correlations with increasing interaction range, allowing for a power-law decay comparable to the pairing correlations.

cond-mat.str-el↗

arXiv2012

Pseudo-particle approach for charge-transferring molecule-surface collisions

Based on a semi-empirical generalized Anderson-Newns model we construct a pseudo-particle description for electron emission due to de-excitation of metastable molecules at surfaces. The pseudo-particle approach allows us to treat resonant charge-transfer and Auger processes on an equal footing, as it is necessary when both channels are open. This is for instance the case when a metastable nitrogen molecule hits a diamond surface. Using non-equilibrium Green functions and physically motivated approximations to the self-energies of the Dyson equations we derive a system of rate equations for the probabilities with which the metastable molecule, the molecular ground state, and the negative ion can be found in the course of the scattering event. From the rate equations we also obtain the spectrum of the emitted electron and the secondary electron emission coefficient. Our numerical results indicate the resonant tunneling process undermining the source of the Auger channel which therefore contributes only a few percent to the secondary electron emission.

cond-mat.str-el↗

arXiv2012

Coulomb interaction effects in graphene bilayers: electron-hole pairing and plasmaron formation

We report a theoretical study of the many-body effects of electron-electron interaction on the ground-state and spectral properties of double-layer graphene. Using a projector-based renormalization method we show that if a finite voltage difference is applied between the graphene layers electron-hole pairs can be formed and---at very low temperatures---an excitonic instability might emerge in a double-layer graphene structure. The single-particle spectral function near the Fermi surface exhibits a prominent quasiparticle peak, different from neutral (undoped) graphene bilayers. Away from the Fermi surface, we find that the charge carriers strongly interact with plasmons, thereby giving rise to a broad plasmaron peak in the angle-resolved photoemission spectrum.

cond-mat.str-el↗

arXiv2012

Characterization of Mott-insulating and superfluid phases in the one-dimensional Bose--Hubbard model

We use strong-coupling perturbation theory, the variational cluster approach (VCA), and the dynamical density-matrix renormalization group (DDMRG) method to investigate static and dynamical properties of the one-dimensional Bose--Hubbard model in both the Mott-insulating and superfluid phases. From the von Neumann entanglement entropy we determine the central charge and the transition points for the first two Mott lobes. Our DMRG results for the ground-state energy, momentum distribution function, boson correlation function decay, Mott gap, and single particle-spectral function are reproduced very well by the strong-coupling expansion to fifth order, and by VCA with clusters up to 12 sites as long as the ratio between the hopping amplitude and on-site repulsion, t/U, is smaller than 0.15 and 0.25, respectively. In addition, in the superfluid phase VCA captures well the ground-state energy and the sound velocity of the linear phonon modes. This comparison provides an authoritative estimate for the range of applicability of these methods. In strong-coupling theory for the Mott phase, the dynamical structure factor is obtained from the solution of an effective single-particle problem with an attractive potential. The resulting resonances show up as double-peak structure close to the Brillouin zone boundary. These high-energy features also appear in the superfluid phase which is characterized by a pronounced phonon mode at small momenta and energies, as predicted by Bogoliubov and field theory. In one dimension, there are no traces of an amplitude mode in the dynamical single-particle and two-particle correlation functions.

cond-mat.quant-gas↗

arXiv2012

The fate of topological-insulator surface states under strong disorder

Three-dimensional topological insulators feature Dirac-like surface states which are topologically protected against the influence of weak quenched disorder. Here we investigate the effect of surface disorder beyond the weak-disorder limit using large-scale numerical simulations. We find two qualitatively distinct regimes: Moderate disorder destroys the Dirac cone and induces diffusive metallic behavior at the surface. Even more remarkably, for strong surface disorder a Dirac cone reappears, as new weakly disordered "surface" states emerge in the sample beneath the disordered surface layer, which can be understood in terms of an interface between a topological and an Anderson insulator. Together, this demonstrates the drastic effect of disorder on topological surface states, which cannot be captured within effective two-dimensional models for the surface states alone.

cond-mat.str-el↗

arXiv2012

Electron surface layer at the interface of a plasma and a dielectric wall

We study the potential and the charge distribution across the interface of a plasma and a dielectric wall. For this purpose, the charge bound to the wall is modelled as a quasi-stationary electron surface layer which satisfies Poisson's equation and minimizes the grand canonical potential of the wall-thermalized excess electrons constituting the wall charge. Based on an effective model for a graded interface taking into account the image potential and the offset of the conduction band to the potential just outside the dielectric, we specifically calculate the potential and the electron distribution for magnesium oxide, silicon dioxide and sapphire surfaces in contact with a helium discharge. Depending on the electron affinity of the surface, we find two vastly different behaviors. For negative electron affinity, electrons do not penetrate into the wall and an external surface charge is formed in the image potential, while for positive electron affinity, electrons penetrate into the wall and a space charge layer develops in the interior of the dielectric. We also investigate how the electron surface layer merges with the bulk of the dielectric.

physics.plasm-ph↗