arXiv subjects

F. Schreiber

Publications and source records attributed to F. Schreiber.

15 recordsLinked to original sources

arXiv2022

Magnetic sensitivity distribution of Hall devices in antiferromagnetic switching experiments

We analyze the complex impact of the local magnetic spin texture on the transverse Hall-type voltage in device structures utilized to measure magnetoresistance effects. We find a highly localized and asymmetric magnetic sensitivity in the eight-terminal geometries that are frequently used in current-induced switching experiments, for instance to probe antiferromagnetic materials. Using current-induced switching of antiferromagnetic NiO/Pt as an example, we estimate the change in the spin Hall magnetoresistance signal associated with switching events based on the domain switching patterns observed via direct imaging. This estimate correlates with the actual electrical data after subtraction of a non-magnetic contribution. Here, the consistency of the correlation across three measurement geometries with fundamentally different switching patterns strongly indicates a magnetic origin of the measured and analyzed electrical signals.

cond-mat.mes-hall↗

arXiv2021

Automated matching of two-time X-ray photon correlation maps from protein dynamics with Cahn-Hilliard type simulations using autoencoder networks

We use machine learning methods for an automated classification of experimental XPCS two-time correlation functions from an arrested liquid-liquid phase separation of a protein solution. We couple simulations based on the Cahn-Hilliard equation with a glass transition scenario and classify the measured correlation maps automatically according to quench depth and critical concentration at a glass/gel transition. We introduce routines and methodologies using an autoencoder network and a differential evolution based algorithm for classification of the measured correlation functions. The here presented method is a first step towards handling large amounts of dynamic data measured at high brilliance synchrotron and X-ray free-electron laser sources facilitating fast comparison to phase field models of phase separation.

cond-mat.soft↗

arXiv2020

Direct imaging of current-induced antiferromagnetic switching revealing a pure thermomagnetoelastic switching mechanism

We unravel the origin of current-induced magnetic switching of insulating antiferromagnet/heavy metal systems. We utilize concurrent transport and magneto-optical measurements to image the switching of antiferromagnetic domains in specially engineered devices of NiO/Pt bilayers. Different electrical pulsing and device geometries reveal different final states of the switching with respect to the current direction. We can explain these through simulations of the temperature induced strain and we identify the thermomagnetoelastic switching mechanism combined with thermal excitations as the origin, in which the final state is defined by the strain distributions and heat is required to switch the antiferromagnetic domains. We show that such a potentially very versatile non-contact mechanism can explain the previously reported contradicting observations of the switching final state, which were attributed to spin-orbit torque mechanisms.

cond-mat.mtrl-sci↗

arXiv2017

Monolayers of hard rods on planar substrates: II. Growth

Growth of hard--rod monolayers via deposition is studied in a lattice model using rods with discrete orientations and in a continuum model with hard spherocylinders. The lattice model is treated with kinetic Monte Carlo simulations and dynamic density functional theory while the continuum model is studied by dynamic Monte Carlo simulations equivalent to diffusive dynamics. The evolution of nematic order (excess of upright particles, "standing--up" transition) is an entropic effect and is mainly governed by the equilibrium solution, {rendering a continuous transition} (paper I, J. Chem. Phys. 145, 074902 (2016)). Strong non--equilibrium effects (e.g. a noticeable dependence on the ratio of rates for translational and rotational moves) are found for attractive substrate potentials favoring lying rods. Results from the lattice and the continuum models agree qualitatively if the relevant characteristic times for diffusion, relaxation of nematic order and deposition are matched properly. Applicability of these monolayer results to multilayer growth is discussed for a continuum--model realization in three dimensions where spherocylinders are deposited continuously onto a substrate via diffusion.

cond-mat.soft↗

arXiv2014

On the analysis of island shape evolution from diffuse x-ray scattering of organic thin films and the implications for growth

Understanding the growth of organic semi-conducting molecules with shape anisotropy is of high relevance to the processing of optoelectronic devices. This work provides insight into the growth of thin films of the prototypical rodlike organic semiconductor diindenoperylene on a microscopic level, by analyzing in detail the film morphology. We model our data, which were obtained by high-resolution grazing incidence small angle x-ray scattering (GISAXS), using a theoretical description from small angle scattering theory derived for simple liquids. Based on form factor calculations for different object types we determine how the island shapes change in the respective layers. Atomic force microscopy measurements approve our findings.

cond-mat.mes-hall↗

arXiv2013

Exploring the Bonding of Large Hydrocarbons on Noble Metals: Diindoperylene on Cu(111), Ag(111), and Au(111)

We present a benchmark study for the adsorption of a large pi-conjugated organic molecule on different noble metal surfaces, which is based on X-ray standing wave (XSW) measurements and density functional theory calculations with van der Waals (vdW) interactions. The bonding distances of diindenoperylene on Cu(111), Ag(111), and Au(111) surfaces (2.51 A, 3.01 A, and 3.10 A, respectively) determined with the normal incidence XSW technique are compared with calculations. Excellent agreement with the experimental data, i.e. deviations less than 0.1 A, is achieved using the Perdew-Burke-Ernzerhof functional with vdW interactions that include the collective response of substrate electrons (PBE+vdW^{surf} method). Noteworthy, the calculations show that the vdW contribution to the adsorption energy increases in the order Au(111) < Ag(111) < Cu(111).

cond-mat.mtrl-sci↗

arXiv2012

Mixing-induced anisotropic correlations in molecular crystalline systems

We investigate the structure of mixed thin films composed of pentacene (PEN) and diindenoperylene (DIP) using X-ray reflectivity and grazing incidence X-ray diffraction. For equimolar mixtures we observe vanishing in-plane order coexisting with an excellent out-of-plane order, a yet unreported disordering behavior in binary mixtures of organic semiconductors, which are crystalline in their pure form. One approach to rationalize our findings is to introduce an anisotropic interaction parameter in the framework of a mean field model. By comparing the structural properties with those of other mixed systems, we discuss the effects of sterical compatibility and chemical composition on the mixing behavior, which adds to the general understanding of interactions in molecular mixtures.

cond-mat.soft↗

arXiv2012

Photoluminescence spectroscopy of pure pentacene, perfluoropentacene and mixed thin films

We report detailed temperature dependent photoluminescence (PL) spectra of pentacene (PEN), perfluoropentacene (PFP), and PEN:PFP mixed thin films grown on SiO2. PEN and PFP are particularly suitable for this study, since they are structurally compatible for good intermixing and form a model donor/acceptor system. The PL spectra of PEN are discussed in the context of existing literature and compared to the new findings for PFP. We analyze the optical transitions observed in the spectra of PEN and PFP using time-dependent density functional theory (TD-DFT) calculations. Importantly, for the mixed PEN:PFP film we observe an optical transition in PL at 1.4 eV providing evidence for coupling effects in the blend. We discuss a possible charge-transfer (CT) and provide a tentative scheme of the optical transitions in the blended films.

cond-mat.mtrl-sci↗

arXiv2011

Optical evidence for intermolecular coupling in mixed films of pentacene and perfluoropentacene

We present optical absorption spectra of mixed films of pentacene (PEN) and perfluoropentacene (PFP) grown on SiO2. We investigated the influence of intermolecular coupling between PEN and PFP on the optical spectra by analyzing samples with five different mixing ratios of PFP:PEN with variable angle spectroscopic ellipsometry (VASE) and differential reflectance spectroscopy (DRS). The data show how the spectral shape is influenced by changes in the volume ratio of the two components. By comparison with the pure film spectra an attempt is made to distinguish transitions due to intermolecular coupling between PEN and PFP from transitions caused by interactions of PEN (PFP) with other molecules of the same type. We observe a new transition at 1.6 eV which is not found in the pure film spectra and which we assign to coupling of PFP and PEN.

cond-mat.mtrl-sci↗

arXiv2011

Orientational Ordering of Nonplanar Phthalocyanines on Cu(111): Strength and Orientation of the Electric Dipole Moment

In order to investigate the orientational ordering of molecular dipoles and the associated electronic properties, we studied the adsorption of chlorogallium phthalocyanine molecules (GaClPc, Pc=C_32N_8H_16) on Cu(111) using the X-ray standing wave technique, photoelectron spectroscopy, and quantum chemical calculations. We find that for sub-monolayer coverages on Cu(111) the majority of GaClPc molecules adsorb in a 'Cl-down' configuration by forming a covalent bond to the substrate. For bilayer coverages the XSW data indicate a co-existence of the 'Cl-down' and 'Cl-up' configuration on the substrate. The structural details established for both cases and supplementary calculations of the adsorbate system allow us to analyze the observed change of the work function.

cond-mat.mtrl-sci↗

arXiv2009

Optical spectra obtained from amorphous films of rubrene: Evidence for predominance of twisted isomer

In order to investigate the optical properties of rubrene we study the vibronic progression of the first absorption band (lowest π-> π^* transition). We analyze the dielectric function of rubrene in solution and thin films using the displaced harmonic oscillator model and derive all relevant parameters of the vibronic progression. The findings are supplemented by density functional calculations using B3LYP hybrid functionals. Our theoretical results for the molecule in two different conformations, i.e. with a twisted or planar tetracene backbone, are in very good agreement with the experimental data obtained for rubrene in solution and thin films. Moreover, a simulation based on the monomer spectrum and the calculated transition energies of the two conformations indicates that the thin film spectrum of rubrene is dominated by the twisted isomer.

cond-mat.soft↗

arXiv2007

Real-time observation of oxidation and photo-oxidation of rubrene thin films by spectroscopic ellipsometry

We follow in real-time and under controlled conditions the oxidation of the organic semiconductor rubrene grown on SiO_2 using spectroscopic ellipsometry. We derive the complex dielectric function epsilon_1 + i epsilon_2 for pristine and oxidized rubrene showing that the oxidation is accompanied by a significant change of the optical properties, namely the absorption. We observe that photo-oxidation of rubrene is orders of magnitude faster than oxidation without illumination. By following different absorption bands (around 2.5eV and 4.0eV for pristine rubrene and around 4.9eV for oxidized rubrene) we infer that the observed photo-oxidation of these films involves non-Fickian diffusion mechanisms.

cond-mat.mtrl-sci↗

arXiv2006

Substrate dependent bonding distances of PTCDA - A comparative XSW study on Cu(111) and Ag(111)

We study the adsorption geometry of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) on Ag(111) and Cu(111) using X-ray standing waves. The element-specific analysis shows that the carbon core of the molecule adsorbs in a planar configuration, whereas the oxygen atoms experience a non-trivial and substrate dependent distortion. On copper (silver) the carbon rings resides 2.66 A (2.86 A) above the substrate. In contrast to the conformation on Ag(111), where the carboxylic oxygen atoms are bent towards the surface, we find that on Cu(111) all oxygen atoms are above the carbon plane at 2.73 A and 2.89 A, respectively.

cond-mat.mtrl-sci↗

arXiv2005

Adsorption-Induced Distortion of F_{16}CuPc on Cu(111) and Ag(111): An X-ray Standing Wave Study

The adsorption geometry of perfluorinated copper-phthalocyanine molecules (F_{16}CuPc) on Cu(111) and Ag(111) is studied using X-ray standing waves. A detailed, element-specific analysis taking into account non-dipolar corrections to the photoelectron yield shows that on both surfaces the molecules adsorb in a lying down, but significantly distorted configuration. While on copper (silver) the central carbon rings reside 2.61 Angstroem (3.25 Angstroem) above the substrate, the outer fluorine atoms are located 0.27 Angstroem (0.20 Angstroem) further away from the surface. This non-planar adsorption structure is discussed in terms of the outer carbon atoms in F_{16}CuPc undergoing a partial rehybridization (sp^2 --> sp^3).

cond-mat.soft↗

arXiv2004

Late growth stages and post-growth diffusion in organic epitaxy: PTCDA on Ag(111)

The late growth stages and the post-growth diffusion of crystalline organic thin films have been investigated for 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) on Ag(111), a model system in organic epitaxy. In situ x-ray measurements at the anti-Bragg point during the growth show intensity oscillations followed by a time-independent intensity which is independent of the growth temperature. At T > 350 K, the intensity increases after growth up to a temperature-dependent saturation value due to a post-growth diffusion process. The time-independent intensity and the subsequent intensity recovery have been reproduced by models based on the morphology change as a function of the growth temperature. The morphology found after the post-growth diffusion processes has been studied by specular rod measurements.

cond-mat.soft↗