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F. X. Bronold

Publications and source records attributed to F. X. Bronold.

36 records · Page 2Linked to original sources
arXiv2012

Mie scattering by a charged dielectric particle

We study for a dielectric particle the effect of surplus electrons on the anomalous scattering of light arising from the transverse optical phonon resonance in the particle's dielectric constant. Excess electrons affect the polarizability of the particle by their phonon-limited conductivity, either in a surface layer (for negative electron affinity) or the conduction band (for positive electron affinity). We demonstrate that surplus electrons shift an extinction resonance in the infrared. This offers an optical way to measure the charge of the particle and thus to use it in a plasma as a minimally invasive electric probe.

physics.plasm-ph↗
arXiv2012

Wall charge and potential from a microscopic point of view

Macroscopic objects floating in an ionized gas (plasma walls) accumulate electrons more efficiently than ions because the influx of electrons outruns the influx of ions. The floating potential acquired by plasma walls is thus negative with respect to the plasma potential. Until now plasma walls are typically treated as perfect absorbers for electrons and ions, irrespective of the microphysics at the surface responsible for charge deposition and extraction. This crude description, sufficient for present day technological plasmas, will run into problems in solid-state based gas discharges where, with continuing miniaturization, the wall becomes an integral part of the plasma device and the charge transfer across it has to be modelled more precisely. The purpose of this paper is to review our work, where we questioned the perfect absorber model and initiated a microscopic description of the charge transfer across plasma walls, put it into perspective, and indicate directions for future research.

physics.plasm-ph↗
arXiv2012

Electron-hole pair condensation at the semimetal-semiconductor transition: a BCS-BEC crossover scenario

We act on the suggestion that an excitonic insulator state might separate---at very low temperatures---a semimetal from a semiconductor and ask for the nature of these transitions. Based on the analysis of electron-hole pairing in the extended Falicov-Kimball model, we show that tuning the Coulomb attraction between both species, a continuous crossover between a BCS-like transition of Cooper-type pairs and a Bose-Einstein condensation of preformed tightly-bound excitons might be achieved in a solid-state system. The precursor of this crossover in the normal state might cause the transport anomalies observed in several strongly correlated mixed-valence compounds.

cond-mat.str-el↗
arXiv2011

Secondary electron emission due to Auger de-excitation of metastable nitrogen molecules at metallic surfaces

With an eye on plasma walls we investigate, within an effective model for the two active electrons involved in the process, secondary electron emission due to Auger de-excitation of metastable nitrogen $N_2(^3σ^+_u)$ molecules at metallic surfaces. Modelling bound and unbound molecular states by a LCAO approach and a two-center Coulomb wave, respectively, and the metallic states by the eigenfunctions of a step potential we employ Keldysh Green's functions to calculate the secondary electron emission coefficient $γ_e$ retaining for the Auger self-energy the non-locality in time and the dependence on the single particle quantum numbers. For the particular case of a tungsten surface we find good agreement with experimental data indicating that the relevant Auger physics is well captured by our easy-to-use model.

cond-mat.other↗
arXiv2011

Slave-boson field fluctuation approach to the extended Falicov-Kimball model: charge, orbital, and excitonic susceptibilities

Based on the SO(2)-invariant slave-boson scheme, the static charge, orbital, and excitonic susceptibilities in the extended Falicov-Kimball model are calculated. Analyzing the phase without long-range order we find instabilities towards charge order, orbital order, and the excitonic insulator (EI) phase. The instability towards the EI is in agreement with the saddle-point phase diagram. We also evaluate the dynamic excitonic susceptibility, which allows the investigation of uncondensed excitons. We find qualitatively different features of the exciton dispersion at the semimetal-EI and at the semiconductor-EI transition supporting a crossover scenario between a BCS-type electron-hole condensation and a Bose-Einstein condensation of preformed bound electron-hole pairs.

cond-mat.str-el↗
arXiv2011

Physisorption of an electron in deep surface potentials off a dielectric surface

We study phonon-mediated adsorption and desorption of an electron at dielectric surfaces with deep polarization-induced surface potentials where multi-phonon transitions are responsible for electron energy relaxation. Focusing on multi-phonon processes due to the nonlinearity of the coupling between the external electron and the acoustic bulk phonon triggering the transitions between surface states, we calculate electron desorption times for graphite, MgO, CaO, (\text{Al}_2\text{O}_3), and (\text{SiO}_2) and electron sticking coefficients for (\text{Al}_2\text{O}_3), CaO, and (\text{SiO}_2). To reveal the kinetic stages of electron physisorption, we moreover study the time evolution of the image state occupancy and the energy-resolved desorption flux. Depending on the potential depth and the surface temperature we identify two generic scenarios: (i)adsorption via trapping in shallow image states followed by relaxation to the lowest image state and desorption from that state via a cascade through the second strongly bound image state in not too deep potentials and (ii)adsorption via trapping in shallow image states but followed by a relaxation bottleneck retarding the transition to the lowest image state and desorption from that state via a one step process to the continuum in deep potentials.

cond-mat.other↗
arXiv2010

Phonon-mediated sticking of electrons at dielectric surfaces

We study phonon-mediated temporary trapping of an electron in polarization-induced external surface states (image states) of a dielectric surface. Our approach is based on a quantum-kinetic equation for the occupancy of the image states. It allows us to distinguish between prompt and kinetic sticking. Because the depth of the image potential is much larger than the Debye energy multi-phonon processes are important. Taking two-phonon processes into account in cases where one-phonon processes yield a vanishing transition probability, as it is applicable, for instance, to graphite, we analyze the adsorption scenario as a function of potential depth and surface temperature and calculate prompt and kinetic sticking coefficients. We find rather small sticking coefficients, at most of the order of $10^{-3}$, and a significant suppression of the kinetic sticking coefficient due to a relaxation bottleneck inhibiting thermalization of the electron with the surface at short timescales.

cond-mat.mtrl-sci↗
arXiv2010

On the existence of the excitonic insulator phase in the extended Falicov-Kimball model: an SO(2)-invariant slave-boson approach

We re-examine the three-dimensional spinless Falicov-Kimball model with dispersive $f$ electrons at half-filling, addressing the dispute about the formation of an excitonic condensate, which is closely related to the problem of electronic ferroelectricity. To this end, we work out a slave-boson functional integral representation of the suchlike extended Falicov-Kimball model that preserves the $SO(2)\otimes U(1)^{\otimes 2}$ invariance of the action. We find a spontaneous pairing of $c$ electrons with $f$ holes, building an excitonic insulator state at low temperatures, also for the case of initially non-degenerate orbitals. This is in contrast to recent predictions of scalar slave-boson mean-field theory but corroborates previous Hartree-Fock and RPA results. Our more precise treatment of correlation effects, however, leads to a substantial reduction of the critical temperature. The different behavior of the partial densities of states in the weak and strong inter-orbital Coulomb interaction regimes supports a BCS-BEC transition scenario.

cond-mat.str-el↗
arXiv2010

Phonon-mediated desorption of image-bound electrons from dielectric surfaces

A complete kinetic modeling of an ionized gas in contact with a surface requires the knowledge of the electron desorption time and the electron sticking coefficient. We calculate the desorption time for phonon-mediated desorption of an image-bound electron, as it occurs, for instance, on dielectric surfaces where desorption channels involving internal electronic degrees of freedom are closed. Because of the large depth of the polarization-induced surface potential with respect to the Debye energy multi-phonon processes are important. To obtain the desorption time, we use a quantum-kinetic rate equation for the occupancies of the bound surface states, taking two-phonon processes into account in cases where one-phonon processes yield a vanishing transition probability, as it is sufficient, for instance, for graphite. Besides producing an estimate for the desorption time of an electron image-bound to a graphite surface, we investigate the desorption scenario and show that desorption via cascades over bound states dominates unless direct one-phonon transitions from the lowest bound state to the continuum are possible.

cond-mat.mtrl-sci↗
arXiv2008

Bound state formation and nature of the excitonic insulator phase in the extended Falicov-Kimball model

Motivated by the possibility of pressure-induced exciton condensation in intermediate-valence Tm[Se,Te] compounds we study the Falicov-Kimball model extended by a finite f-hole valence bandwidth. Calculating the Frenkel-type exciton propagator we obtain excitonic bound states above a characteristic value of the local interband Coulomb attraction. Depending on the system parameters coherence between c- and f-states may be established at low temperatures, leading to an excitonic insulator phase. We find strong evidence that the excitonic insulator typifies either a BCS condensate of electron-hole pairs (weak-coupling regime) or a Bose-Einstein condensate (BEC) of preformed excitons (strong-coupling regime), which points towards a BCS-BEC transition scenario as Coulomb correlations increase.

cond-mat.str-el↗
arXiv2008

Surface states and the charge of a dust particle in a plasma

We investigate electron and ion surface states of a negatively charged dust particle in a gas discharge and identify the charge of the particle with the electron surface density bound in the polarization-induced short-range part of the particle potential. On that scale, ions do not affect the charge. They are trapped in the shallow states of the Coulomb tail of the potential and act only as screening charges. Using orbital-motion limited electron charging fluxes and the particle temperature as an adjustable parameter, we obtain excellent agreement with experimental data.

physics.plasm-ph↗
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

Radio-frequency discharges in Oxygen. Part 1: Modeling

In this series of three papers we present results from a combined experimental and theoretical effort to quantitatively describe capacitively coupled radio-frequency discharges in oxygen. The particle-in-cell Monte-Carlo model on which the theoretical description is based will be described in the present paper. It treats space charge fields and transport processes on an equal footing with the most important plasma-chemical reactions. For given external voltage and pressure, the model determines the electric potential within the discharge and the distribution functions for electrons, negatively charged atomic oxygen, and positively charged molecular oxygen. Previously used scattering and reaction cross section data are critically assessed and in some cases modified. To validate our model, we compare the densities in the bulk of the discharge with experimental data and find good agreement, indicating that essential aspects of an oxygen discharge are captured.

physics.plasm-ph↗
arXiv2005

Phase diagram of the excitonic insulator

Motivated by recent experiments, which give strong evidence for an excitonic insulating phase in $\rm TmSe_{0.45}Te_{0.55}$, we developed a scheme to quantitatively construct, for generic two-band models, the phase diagram of an excitonic insulator. As a first application of our approach, we calculated the phase diagram for an effective mass two-band model with long-range Coulomb interaction. The shielded potential approximation is used to derive a generalized gap equation controlling for positive (negative) energy gaps the transition from a semi-conducting (semi-metallic) phase to an insulating phase. Numerical results,obtained within the quasi-static approximation, show a steeple-like phase diagram in contrast to long-standing expectations.

cond-mat.str-el↗
arXiv2004

Electron transport in the Anderson model

Based on a selfconsistent theory of localization we study the electron transport properties of a disordered system in the framework of the Anderson model on a Bethe lattice. In the calculation of the dc conductivity we separately discuss the two contributions to the current-current correlation function dominating its behaviour for small and large disorder. The resulting conductivity abruptly vanishes at a critical disorder strength marking the localization transition.

cond-mat.str-el↗
arXiv2001

Absorption spectrum of a weakly n-doped semiconductor quantum well

We calculate, as a function of temperature and conduction band electron density, the optical absorption of a weakly n-doped, idealized semiconductor quantum well. In particular, we focus on the absorption band due to the formation of a charged exciton. We conceptualize the charged exciton as an itinerant excitation intimately linked to the dynamical response of itinerant conduction band electrons to the appearance of the photo-generated valence band hole. Numerical results for the absorption in the vicinity of the exciton line are presented and the spectral weights associated with, respectively, the charged exciton band and the exciton line are analyzed in detail. We find, in qualitative agreement with experimental data, that the spectral weight of the charged exciton grows with increasing conduction band electron density and/or decreasing temperature at the expense of the exciton.

cond-mat.str-el↗
arXiv2001

Dynamics of a single electron in the disordered Holstein model

We study, at zero temperature, the dynamics of a single electron in a Holstein model augmented by site-diagonal, binary-alloy type disorder. The average over the phonon vacuum and the alloy configurations is performed within a generalized dynamical coherent potential approximation. We present numerical results for a Bethe lattice with infinite coordination number. In particular, we investigate, in the intermediate electron-phonon coupling regime, the spectral and diffusion properties in the vicinity of the high-energy edge of the lowest polaronic subband. To characterize the diffusion properties, we define a spectrally resolved delocalization time, which is, for a given energy, the characteristic time scale on which the electron leaves a given site. We find the delocalization times substantially enhanced for states with a large phonon content, i.e., in the absence (presence) of alloy-type disorder at the high-energy edge(s) of the polaronic subband (mini-subbands). According to their delocalization times, we discriminate between ``fast'' quasi-particle-like and ``sluggish'' defect-like polaron states and qualitatively address the issue of trapping of an electronic carrier.

cond-mat.str-el↗