arXiv subjects

F. Gebhard

Publications and source records attributed to F. Gebhard.

At least 19 recordsLinked to original sources

arXiv2023

Parametrization of the Charge-Carrier Mobility in Organic Disordered Semiconductors. APAE against EGDM

An appropriately parameterized compact analytical equation (APAE) is suggested to account for charge carrier mobility in organic disordered semiconductors (ODSs). This equation correctly reproduces the effects of temperature $T$, carrier concentration $n$, and electric field $F$ on the carrier mobility $\mu(T,F,n)$, as evidenced by comparison with analytical theories and Monte Carlo simulations. The set of material parameters responsible for charge transport is proven to be at varience to those used in the so-called extended Gaussian disorder model (EGDM) approach, which is widely exploited in commercially distributed device--simulation algorithms. While EGDM is only valid for cubic lattices with a specific choice of parameters, APAE describes charge transport in systems with spatial disorder in a wide range of parameters. APAE is user-friendly and, thus, suitable for incorporation into device-simulation algorithms.

cond-mat.soft↗

arXiv2023

A pedestrian approach to Einstein's formula $E=mc^2$ with an application to photon dynamics

There are several ways to derive Einstein's celebrated formula for the energy of a massive particle at rest, $E=mc^2$. Noether's theorem applied to the relativistic Lagrange function provides an unambiguous and straightforward access to energy and momentum conservation laws but those tools were not available at the beginning of the twentieth century and are not at hand for newcomers even nowadays. In a pedestrian approach, we start from relativistic kinematics and analyze elastic and inelastic scattering processes in different reference frames to derive the relativistic energy-mass relation. We extend the analysis to Compton scattering between a massive particle and a photon, and a massive particle emitting two photons. Using the Doppler formula, it follows that $E=\hbar \omega$ for photons at angular frequency $\omega$ where $\hbar$ is the reduced Planck constant. We relate our work to other derivations of Einstein's formula in the literature.

physics.class-ph↗

arXiv2022

Quantum states in disordered media. I. Low-pass filter approach

The current burst in research activities on disordered semiconductors calls for the development of appropriate theoretical tools that reveal the features of electron states in random potentials while avoiding the time-consuming numerical solution of the Schr\"odinger equation. Among various approaches suggested so far, the low-pass filter approach of Halperin and Lax (HL) and the so-called localization landscape technique (LLT) have received most recognition in the community. We prove that the HL approach becomes equivalent to the LLT for the specific case of a Lorentzian filter when applied to the Schr\"odinger equation with a constant mass. Advantageously, the low-pass filter approach allows further optimization beyond the Lorentzian shape. We propose the global HL filter as optimal filter with only a single length scale, namely, the size of the localized wave packets. As an application, we design an optimized potential landscape for a (semi-)classical calculation of the number of strongly localized states that faithfully reproduce the exact solution for a random white-noise potential in one dimension.

cond-mat.dis-nn↗

arXiv2022

Quantum states in disordered media. II. Spatial charge carrier distribution

The space- and temperature-dependent electron distribution $n(\mathbf r,T)$ is essential for the theoretical description of the opto-electronic properties of disordered semiconductors. We present two powerful techniques to access $n(\mathbf r,T)$ without solving the Schr\"odinger equation. First, we derive the density for non-degenerate electrons by applying the Hamiltonian recursively to random wave functions (RWF). Second, we obtain a temperature-dependent effective potential from the application of a universal low-pass filter (ULF) to the random potential acting on the charge carriers in disordered media. Thereby, the full quantum-mechanical problem is reduced to the quasi-classical description of $n(\mathbf r,T)$ in an effective potential. We numerically verify both approaches by comparison with the exact quantum-mechanical solution. Both approaches prove superior to the widely used localization landscape theory (LLT) when we compare our approximate results for the charge carrier density and mobility at elevated temperatures obtained by RWF, ULF, and LLT with those from the exact solution of the Schr\"odinger equation.

cond-mat.dis-nn↗

arXiv2022

Comment on "Interplay of Structural and Optoelectronic Properties in Formamidinium Mixed Tin-Lead Triiodide Perovskites"

Studying optoelectronic properties in FAPb$_{1-x}$Sn$_x$I$_3$ perovskites as a function of the lead:tin content, Parrott et al. observed the broadest luminescence linewidth and the largest luminescence Stokes shift in mixed compositions with Sn $ < 25$% and with $> 0.85$%. Since the largest effects of alloy disorder were expected for the 50:50 composition, it was concluded that the revealed disorder effects might arise from extrinsic factors that can be eliminated upon further crystal growth optimization. This comment shows that the largest effects of alloy disorder for perfectly random fluctuations in FAPb$_{1-x}$Sn$_x$I$_3$ perovskite are, in fact, expected for $x < 0.25$ and for $x > 0.85$. Therefore, further crystal growth optimization is futile.

cond-mat.mtrl-sci↗

arXiv2020

Thermodynamics and screening in the Ising-Kondo model

We introduce and study a simplification of the symmetric single-impurity Kondo model. In the Ising-Kondo model, host electrons scatter off a single magnetic impurity at the origin whose spin orientation is dynamically conserved. This reduces the problem to potential scattering of spinless fermions that can be solved exactly using the equation-of-motion technique. The Ising-Kondo model provides an example for static screening. At low temperatures, the thermodynamics at finite magnetic fields resembles that of a free spin-1/2 in a reduced external field. Alternatively, the Curie law can be interpreted in terms of an antiferromagnetically screened effective spin. The spin correlations decay algebraically to zero in the ground state and display commensurate Friedel oscillations. In contrast to the symmetric Kondo model, the impurity spin is not completely screened, i.e., the screening cloud contains less than a spin-1/2 electron. At finite temperatures and weak interactions, the spin correlations decay to zero exponentially with correlation length $\xi(T)=1/(2\pi T)$.

cond-mat.str-el↗

arXiv2019

Percolation description of charge transport in amorphous oxide semiconductors

The charge transport mechanism in amorphous oxide semiconductors (AOS) is a matter of controversial debates. Most theoretical studies so far neglected the percolation nature of the phenomenon. In this article, a recipe for theoretical description of charge transport in AOSs is formulated using the percolation arguments. Comparison with the previous theoretical studies shows a superiority of the percolation approach. The results of the percolation theory are compared to experimental data obtained in various InGaZnO materials revealing parameters of the disorder potential in such AOS.

cond-mat.dis-nn↗

arXiv2019

Percolation description of charge transport in the random barrier model applied to amorphous oxide semiconductors

Charge transport in amorphous oxide semiconductors is often described as the band transport affected by disorder in the form of random potential barriers (RB). Theoretical studies in the framework of this approach neglected so far the percolation nature of the phenomenon. In this article, a recipe for theoretical description of charge transport in the RB model is formulated using percolation arguments. Comparison with the results published so far evidences the superiority of the percolation approach.

cond-mat.dis-nn↗

arXiv2017

Fundamental characteristic length scale for the field dependence of hopping charge transport in disordered organic semiconductors

Using analytical arguments and computer simulations we show that the dependence of the hopping carrier mobility on the electric field $\mu(F)/\mu(0)$ in a system of random sites is determined by the localization length $a$, and not by the concentration of sites $N$. This result is in drastic contrast to what is usually assumed in the literature for a theoretical description of experimental data and for device modeling, where $N^{-1/3}$ is considered as the decisive length scale for $\mu(F)$. We show that although the limiting value $\mu(F \rightarrow 0)$ is determined by the ratio $N^{-1/3}/a$, the dependence $\mu(F)/\mu(0)$ is sensitive to the magnitude of $a$, and not to $N^{-1/3}$. Furthermore, our numerical and analytical results prove that the effective temperature responsible for the combined effect of the electric field $F$ and the real temperature $T$ on the hopping transport via spatially random sites can contain the electric field only in the combination $eFa$.

cond-mat.mes-hall↗

arXiv2013

One-dimensional Bose-Hubbard model with local three-body interactions

We employ the (dynamical) density matrix renormalization group technique to investigate the ground-state properties of the Bose-Hubbard model with nearest-neighbor transfer amplitudes t and local two-body and three-body repulsion of strength U and W, respectively. We determine the phase boundaries between the Mott-insulating and superfluid phases for the lowest two Mott lobes from the chemical potentials. We calculate the tips of the Mott lobes from the Tomonaga-Luttinger liquid parameter and confirm the positions of the Kosterlitz-Thouless points from the von Neumann entanglement entropy. We find that physical quantities in the second Mott lobe such as the gap and the dynamical structure factor scale almost perfectly in t/(U+W), even close to the Mott transition. Strong-coupling perturbation theory shows that there is no true scaling but deviations from it are quantitatively small in the strong-coupling limit. This observation should remain true in higher dimensions and for not too large attractive three-body interactions.

cond-mat.quant-gas↗

arXiv2013

Closed and Open System Dynamics in a Fermionic Chain with a Microscopically Specified Bath: Relaxation and Thermalization

We study thermalization in a one-dimensional quantum system consisting of a noninteracting fermionic chain with each site of the chain coupled to an additional bath site. Using a density matrix renormalization group algorithm we investigate the time evolution of observables in the chain after a quantum quench. For low densities we show that the intermediate time dynamics can be quantitatively described by a system of coupled equations of motion. For higher densities our numerical results show a prethermalization for local observables at intermediate times and a full thermalization to the grand canonical ensemble at long times. For the case of a weak bath-chain coupling we find, in particular, a Fermi momentum distribution in the chain in equilibrium in spite of the seemingly oversimplified bath in our model.

cond-mat.stat-mech↗

arXiv2012

Dynamic density-density correlations in interacting Bose gases on optical lattices

In order to identify possible experimental signatures of the superfluid to Mott-insulator quantum phase transition we calculate the charge structure factor $S(k,ω)$ for the one-dimensional Bose-Hubbard model using the dynamical density-matrix renormalisation group (DDMRG) technique. Particularly we analyse the behaviour of $S(k, ω)$ by varying---at zero temperature---the Coulomb interaction strength within the first Mott lobe. For strong interactions, in the Mott-insulator phase, we demonstrate that the DDMRG results are well reproduced by a strong-coupling expansion, just as the quasi-particle dispersion. In the superfluid phase we determine the linear excitation spectrum near $k=0$ and compare the DDMRG data with results from mean-field theory.

cond-mat.str-el↗

arXiv2011

Particle injection into a chain: decoherence versus relaxation for Hermitian and non-Hermitian dynamics

We investigate a model system for the injection of fermionic particles from filled source sites into an empty chain. We study the ensuing dynamics for Hermitian as well as for non-Hermitian time evolution where the particles cannot return to the bath sites (quantum ratchet). A non-homogeneous hybridization between bath and chain sites permits transient currents in the chain. Non-interacting particles show decoherence in the thermodynamic limit: the average particle number and the average current density in the chain become stationary for long times, whereas the single-particle density matrix displays large fluctuations around its mean value. Using the numerical time-dependent density-matrix renormalization group ($t$-DMRG) method we demonstrate, on the other hand, that sizable density-density interactions between the particles introduce relaxation which is by orders of magnitudes faster than the decoherence processes.

cond-mat.str-el↗

arXiv2011

Dynamic properties of the one-dimensional Bose-Hubbard model

We use the density-matrix renormalization group method to investigate ground-state and dynamic properties of the one-dimensional Bose-Hubbard model, the effective model of ultracold bosonic atoms in an optical lattice. For fixed maximum site occupancy $n_b=5$, we calculate the phase boundaries between the Mott insulator and the `superfluid' phase for the lowest two Mott lobes. We extract the Tomonaga-Luttinger parameter from the density-density correlation function and determine accurately the critical interaction strength for the Mott transition. For both phases, we study the momentum distribution function in the homogeneous system, and the particle distribution and quasi-momentum distribution functions in a parabolic trap. With our zero-temperature method we determine the photoemission spectra in the Mott insulator and in the `superfluid' phase of the one-dimensional Bose-Hubbard model. In the insulator, the Mott gap separates the quasi-particle and quasi-hole dispersions. In the `superfluid' phase the spectral weight is concentrated around zero momentum.

cond-mat.str-el↗

arXiv2010

Role of Diffusion in Two-dimensional Bimolecular Recombination

Experiments on carrier recombination in two-dimensional organic structures are often interpreted in the frame of the Langevin model with taking into account only the drift of the charge carriers in their mutual electric field. While this approach is well justified for three-dimensional systems, it is in general not valid for two-dimensional structures, where the contribution of diffusion can play a dominant role. We study the two-dimensional Langevin recombination theoretically and find the critical concentration below which diffusion cannot be neglected. For typical experimental conditions, neglecting the diffusion leads to an underestimation of the recombination rate by several times.

cond-mat.dis-nn↗

arXiv2009

Effect of Electric Field on Diffusion in Disordered Materials I. One-dimensional Hopping Transport

An exact analytical theory is developed for calculating the diffusion coefficient of charge carriers in strongly anisotropic disordered solids with one-dimensional hopping transport mode for any dependence of the hopping rates on space and energy. So far such a theory existed only for calculating the carrier mobility. The dependence of the diffusion coefficient on the electric field evidences a linear, non-analytic behavior at low fields for all considered models of disorder. The mobility, on the contrary, demonstrates a parabolic, analytic field dependence for a random-barrier model, being linear, non-analytic for a random energy model. For both models the Einstein relation between the diffusion coefficient and mobility is proven to be violated at any finite electric field. The question on whether these non-analytic field dependences of the transport coefficients and the concomitant violation of the Einstein's formula are due to the dimensionality of space or due to the considered models of disorder is resolved in the following paper [Nenashev et al., arXiv:0912.3169], where analytical calculations and computer simulations are carried out for two- and three-dimensional systems.

cond-mat.dis-nn↗

arXiv2009

Effect of Electric Field on Diffusion in Disordered Materials II. Two- and Three-dimensional Hopping Transport

In the previous paper [Nenashev et al., arXiv:0912.3161] an analytical theory confirmed by numerical simulations has been developed for the field-dependent hopping diffusion coefficient D(F) in one-dimensional systems with Gaussian disorder. The main result of that paper is the linear, non-analytic field dependence of the diffusion coefficient at low electric fields. In the current paper, an analytical theory is developed for the field-dependent diffusion coefficient in three- and two-dimensional Gaussian disordered systems in the hopping transport regime. The theory predicts a smooth parabolic field dependence for the diffusion coefficient at low fields. The result is supported by Monte Carlo computer simulations. In spite of the smooth field dependences for the mobility and for the longitudinal diffusivity, the traditional Einstein form of the relation between these transport coefficients is shown to be violated even at very low electric fields.

cond-mat.dis-nn↗

arXiv2009

Renormalization of Bulk Magnetic Electron States at High Binding Energies

The quasiparticle dynamics of electrons in a magnetically ordered state is investigated by high-resolution angle-resolved photoemission of Ni(110) at 10 K. The self-energy is extracted for high binding energies reaching up to 500 meV, using a Gutzwiller calculation as a reference frame for correlated quasiparticles. Significant deviations exist in the 300 meV range, as identified on magnetic bulk bands for the first time. The discrepancy is strikingly well described by a self-energy model assuming interactions with spin excitations. Implications relating to different electron-electron correlation regimes are discussed.

cond-mat.str-el↗