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Holger Fehske

Publications and source records attributed to Holger Fehske.

At least 127 records · Page 7Linked to original sources
arXiv2009

Numerical approaches to time evolution of complex quantum systems

We examine several numerical techniques for the calculation of the dynamics of quantum systems. In particular, we single out an iterative method which is based on expanding the time evolution operator into a finite series of Chebyshev polynomials. The Chebyshev approach benefits from two advantages over the standard time-integration Crank-Nicholson scheme: speedup and efficiency. Potential competitors are semiclassical methods such as the Wigner-Moyal or quantum tomographic approaches. We outline the basic concepts of these techniques and benchmark their performance against the Chebyshev approach by monitoring the time evolution of a Gaussian wave packet in restricted one-dimensional (1D) geometries. Thereby the focus is on tunnelling processes and the motion in anharmonic potentials. Finally we apply the prominent Chebyshev technique to two highly non-trivial problems of current interest: (i) the injection of a particle in a disordered 2D graphene nanoribbon and (ii) the spatiotemporal evolution of polaron states in finite quantum systems. Here, depending on the disorder/electron-phonon coupling strength and the device dimensions, we observe transmission or localisation of the matter wave.

cond-mat.str-el↗
arXiv2009

Anderson disorder in graphene nanoribbons: A local distribution approach

Disorder effects strongly influence the transport properties of graphene based nanodevices even to the point of Anderson localization. Focusing on the local density of states and its distribution function, we analyze the localization properties of actual size graphene nanoribbons. In particular we determine the time evolution and localization length of the single particle wave function in dependence on the ribbon extension and edge geometry, as well as on the disorder type and strength.

cond-mat.str-el↗
arXiv2008

Solution of the Holstein polaron anisotropy problem

We study Holstein polarons in three-dimensional anisotropic materials. Using a variational exact diagonalization technique we provide highly accurate results for the polaron mass and polaron radius. With these data we discuss the differences between polaron formation in dimension one and three, and at small and large phonon frequency. Varying the anisotropy we demonstrate how a polaron evolves from a one-dimensional to a three-dimensional quasiparticle. We thereby resolve the issue of polaron stability in quasi-one-dimensional substances and clarify to what extent such polarons can be described as one-dimensional objects. We finally show that even the local Holstein interaction leads to an enhancement of anisotropy in charge carrier motion.

cond-mat.str-el↗
arXiv2008

Diffusion and localization in quantum random resistor networks

The theoretical description of transport in a wide class of novel materials is based upon quantum percolation and related random resistor network (RRN) models. We examine the localization properties of electronic states of diverse two-dimensional quantum percolation models using exact diagonalization in combination with kernel polynomial expansion techniques. Employing the local distribution approach we determine the arithmetically and geometrically averaged densities of states in order to distinguish extended, current carrying states from localized ones. To get further insight into the nature of eigenstates of RRN models we analyze the probability distribution of the local density of states in the whole parameter and energy range. For a recently proposed RRN representation of graphene sheets we discuss leakage effects.

cond-mat.str-el↗
arXiv2008

Dynamical Aspects of 2D Quantum Percolation

The existence of a quantum percolation threshold p_q<1 in the 2D quantum site-percolation problem has been a controversial issue for a long time. By means of a highly efficient Chebyshev expansion technique we investigate numerically the time evolution of particle states on finite disordered square lattices with system sizes not reachable up to now. After a careful finite-size scaling, our results for the particle's recurrence probability and the distribution function of the local particle density give evidence that indeed extended states exist in the 2D percolation model for p<1.

cond-mat.str-el↗
arXiv2008

Exact treatment of exciton-polaron formation by Diagrammatic Monte Carlo

We develop an approximation-free Diagrammatic Monte Carlo technique to study fermionic particles interacting with each other simultaneously through both an attractive Coulomb potential and bosonic excitations of the underlying medium. Exemplarily we apply the method to the long-standing exciton-polaron problem and present numerically exact results for the wave function, ground-state energy, binding energy and effective mass of this quasiparticle. Focusing on the electron-hole pair bound-state formation, we discuss various limiting cases of a generic exciton-polaron model. The frequently used instantaneous approximation to the retarded interaction due to the phonon exchange is found to be of very limited applicability. For the case of a light electron and heavy hole the system is well approximated by a particle in the field of a static attractive impurity.

cond-mat.str-el↗
arXiv2007

Chebyshev approach to quantum systems coupled to a bath

We propose a new concept for the dynamics of a quantum bath, the Chebyshev space, and a new method based on this concept, the Chebyshev space method. The Chebyshev space is an abstract vector space that exactly represents the fermionic or bosonic bath degrees of freedom, without a discretization of the bath density of states. Relying on Chebyshev expansions the Chebyshev space representation of a bath has very favorable properties with respect to extremely precise and efficient calculations of groundstate properties, static and dynamical correlations, and time-evolution for a great variety of quantum systems. The aim of the present work is to introduce the Chebyshev space in detail and to demonstrate the capabilities of the Chebyshev space method. Although the central idea is derived in full generality the focus is on model systems coupled to fermionic baths. In particular we address quantum impurity problems, such as an impurity in a host or a bosonic impurity with a static barrier, and the motion of a wave packet on a chain coupled to leads. For the bosonic impurity, the phase transition from a delocalized electron to a localized polaron in arbitrary dimension is detected. For the wave packet on a chain, we show how the Chebyshev space method implements different boundary conditions, including transparent boundary conditions replacing infinite leads. Furthermore the self-consistent solution of the Holstein model in infinite dimension is calculated. With the examples we demonstrate how highly accurate results for system energies, correlation and spectral functions, and time-dependence of observables are obtained with modest computational effort.

cond-mat.str-el↗
arXiv2007

Lattice exciton-polaron problem by quantum Monte Carlo simulations

Exciton-polaron formation in one-dimensional lattice models with short or long-range carrier-phonon interaction is studied by quantum Monte Carlo simulations. Depending on the relative sign of electron and hole-phonon coupling, the exciton-polaron size increases or decreases with increasing interaction strength. Quantum phonon fluctuations determine the (exciton-)polaron size and yield translation-invariant states at all finite couplings.

cond-mat.str-el↗
arXiv2007

Optical conductivity of polaronic charge carriers

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic limit, whereas at finite carrier density analytical approximations based on previous work on single-particle spectral functions are obtained. Particular emphasis is put on deviations from weak-coupling, small-polaron or one-electron theories occurring at intermediate coupling and/or finite carrier density. The analytical results are in surprisingly good agreement with exact data, and exhibit the characteristic polaronic excitations observed in experiments on manganites.

cond-mat.str-el↗
arXiv2007

Particle-based modeling of oxygen discharges

We present an one-dimensional particle-in-cell Monte-Carlo model for capacitively coupled radio-frequency discharges in oxygen. The model quantitatively describes the central part of the discharge. For a given voltage and pressure, it self-consistently determines the electric potential and the distribution functions for electrons, negatively charged atomic oxygen, and positively charged molecular oxygen. Previously used collision cross sections are critically assessed and in some cases modified. Provided associative detachment due to metastable oxygen molecules is included in the model, the electro-negativities in the center of the discharge are in excellent agreement with experiments. Due to lack of empirical data for the cross section of this process, we propose a simple model and discuss its limitations.

physics.plasm-ph↗
arXiv2007

Bipolaron formation in 1D-3D quantum dots: A lattice quantum Monte Carlo approach

Polaron and bipolaron formation in the Holstein-Hubbard model with harmonic confinement potential, relevant to quantum dot structures, is investigated in one to three dimensions by means of unbiased quantum Monte Carlo simulations. The discrete nature of the lattice and quantum phonon effects are fully taken into account. The dependence on phonon frequency, Coulomb repulsion, confinement strength (dot size) and electron-phonon interaction strength is studied over a wide range of parameter values. Confinement is found to reduce the size of (bi-)polarons at a given coupling strength, to reduce the critical coupling for small-(bi-)polaron formation, to increase the polaron binding energy, and to be more important in lower dimensions. The present method also permits to consider models with dispersive phonons, anharmonic confinement, or long-range interactions.

cond-mat.str-el↗
arXiv2006

Excitonic versus electron-hole liquid phases in Tm[Se,Te] compounds

We discuss, from a theoretical point of view, excitonic phases at the pressure induced semiconductor-semimetal transition in $\rm TmSe_{0.45}Te_{0.55}$,focusing, in particular, on the stability against an electron-hole liquid. The electron-hole pair density parameter $r_s(E_g,T)$ is calculated within the quasi-static plasmon pole approximation as a function of temperature $T$ and energy gap $E_g$ and converted into $-E_g(r_s,T)$. A comparison of this quantity, which is the electron-hole pair chemical potential, with the exciton binding energy reveals that excitons should be suppressed in contrast to experimental evidence for excitonic phases. We suspect therefore inter-valley exciton scattering and exciton-phonon scattering to substantially stabilise excitons in $\rm TmSe_{0.45}Te_{0.55}$.

cond-mat.str-el↗
arXiv2006

Carrier-density effects in many-polaron systems

Many-polaron systems with finite charge-carrier density are often encountered experimentally. However, until recently, no satisfactory theoretical description of these systems was available even in the framework of simple models such as the one-dimensional spinless Holstein model considered here. In this work, previous results obtained using numerical as well as analytical approaches are reviewed from a unified perspective, focussing on spectral properties which reveal the nature of the quasiparticles in the system. In the adiabatic regime and for intermediate electron-phonon coupling, a carrier-density driven crossover from a polaronic to a rather metallic system takes place. Further insight into the effects due to changes in density is gained by calculating the phonon spectral function, and the fermion-fermion and fermion-lattice correlation functions. Finally, we provide strong evidence against the possibility of phase separation.

cond-mat.str-el↗
arXiv2006

On the possibility of an excitonic insulator at the semiconductor-semimetal transition

We calculate the critical temperature below which an excitonic insulator exists at the pressure-induced semiconductor-semimetal transition. Our approach is based on an effective-mass model for valence and conduction band electrons interacting via a statically screened Coulomb potential. Assuming pressure to control the energy gap, we derive, in the spirit of a BEC-BCS crossover scenario, a set of equations which determines, as a function of the energy gap (pressure), the chemical potentials for the two bands, the screening wave number, and the critical temperature. We (i) show that in leading order the chemical potentials are not affected by the exciton states, (ii) verify that on the strong coupling (semiconductor) side the critical temperatures obtained from the linearized gap equation coincide with the transition temperatures for BEC of non-interacting bosons, (iii) demonstrate that mass asymmetry strongly suppresses BCS-type pairing, and (iv) discuss in the context of our theory recent experimental claims for exciton condensation in ${\rm TmSe_{0.45}Te_{0.55}}$.

cond-mat.str-el↗
arXiv2006

Phase diagram of the spin-Peierls chain with local coupling

We explore the ground-state phase diagram of a Heisenberg spin chain coupled locally to optical phonons (bond coupling), using large-scale density matrix renormalization group calculations and an extended perturbative analysis. For the quantum phase transition from the spin liquid to the dimerized phase, we find deviations from previous quantum Monte Carlo and flow equation results.

cond-mat.str-el↗
arXiv2006

Exact numerical methods for electron-phonon problems

We present the basic principles of exact diagonalization and (dynamical) density-matrix renormalization-group approaches to the calculation of ground state and dynamical properties in electron-phonon systems.

cond-mat.str-el↗
arXiv2006

The spin-Peierls chain revisited

We extend previous analytical studies of the ground-state phase diagram of a one-dimensional Heisenberg spin chain coupled to optical phonons, which for increasing spin-lattice coupling undergoes a quantum phase transition from a gap-less to a gaped phase with finite lattice dimerisation. We check the analytical results against established four-block and new two-block density matrix renormalisation group (DMRG) calculations. Different finite-size scaling behaviour of the spin excitation gaps is found in the adiabatic and anti-adiabatic regimes.

cond-mat.str-el↗