arXiv subjects

Gabi Schierning

Publications and source records attributed to Gabi Schierning.

8 recordsLinked to original sources

arXiv2026

Impact of hydrogen incorporation on electronic and magnetic structure of X2CrNi18-9 stainless steel

Hydrogen absorption significantly alters the mechanical properties of steel. However, absorbed hydrogen also influences its electronic and magneto-structural properties, helping to interpret how hydrogen is incorporated. This study therefore investigates the influence of hydrogen incorporation on the electronic and magneto-structural properties of X2CrNi18-9 stainless steel in different microstructural states. Microstructural characterization included analytic electron microscopy mapping, X-ray diffraction and thermodynamic stability maps to evaluate grain size, dislocation density and chemical homogeneity. The electronic properties were characterized using the Seebeck coefficient, while the magneto-structural properties were investigated using diffuse neutron scattering and small-angle neutron scattering (SANS). Hydrogen incorporation showed clear changes in the Seebeck coefficients. Magnetic SANS in conjunction with diffuse neutron scattering indicates the existence of nanoscale inhomogeneities with the same fcc structure as the bulk, but with correlation lengths of a few nanometres. The size of these inhomogeneities increased with hydrogen incorporation, suggesting that hydrogen preferentially accumulates in their vicinity. However, no direct correlation between the electronic and magneto-structural properties and the dislocation density could be demonstrated. We suggest that studies such as these will lead in the medium term to the development of guidelines for material design to make steels more resistant to hydrogen.

cond-mat.mtrl-sci↗

arXiv2026

Influence of Charge Density Waves on the Hall coefficient in NiTi

We present a mean-field charge density wave theory for NiTi using density functional theory bandstructure as a starting point. We calculate the Hall coefficient as a function of temperature and compare with recent experimental results. We analyze the contributions to the Hall coefficient from different parts of the Fermi surface and find that the Hall coefficient is dominated by certain ``hot spots''. The analysis shows that these hot spots are mostly dominated by Ni d-orbitals. We demonstrate that the Hall coefficient is not well reproduced by Boltzmann transport theory within the constant relaxation time approximation without charge density waves. We consider both uniaxial and biaxial charge density waves and show that biaxial charge density waves can account well for the Hall coefficient, while uniaxial cannot. We also investigate the temperature dependence of the resistivity and the specific heat.

cond-mat.mtrl-sci↗

arXiv2026

NiTi Single Crystal Growth by Micro-Pulling-Down Method: Experimental Setup and Material Characterization

Nickel-titanium that has an austenite to martensite phase transition has been studied extensively in the past as a shape memory alloy, but a lot remains to be learned from such phase transitions. However, single crystals are needed for a detailed characterization of the emerging phase transition. In order to produce NiTi single crystals for research purposes, we have set up a micro-pulling-down ($μ$PD) apparatus. The $μ$PD process is a fast and flexible method for the fabrication of small single crystals. The apparatus is operated in vacuum. By pulling the crystal down through a hole in the crucible bottom, it is possible to reduce oxygen contamination, since oxides float on top of the melt due to their low density. Here we present a detailed characterization of as-grown NiTi crystals by electron backscatter diffraction (EBSD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), hot gas extraction method and differential scanning calorimetry (DSC). The characteristics of the phase transition in NiTi are very sensitive to dopants and alloying. The $μ$PD method facilitates the introduction of different doping elements into the crystal.

cond-mat.mtrl-sci↗

arXiv2025

Surface Oxidation of SnTe Analyzed by Self-Consistent Fitting of all Emission Peaks in its X-ray Photoelectron Spectrum

X-ray photoelectron spectroscopy (XPS) is among the most widely used methods for surface characterization. Currently, the analysis of XPS data is almost exclusively based on the main emission peak of a given element and the rest of the spectrum is discarded. This makes quantitative chemical state analyses by peak fitting prone to substantial error, especially in light of incomplete and flawed reference literature. However, most elements give rise to multiple emission peaks in the x-ray energy range, which are virtually never analyzed. For samples with an inhomogeneous depth distribution of chemical states, these peaks show different but interdependent ratios of signal components, as they correspond to different information depths. In this work, we show that self-consistent fitting of all emission peaks lends additional reliability to the depth profiling of chemical states by angular-resolved (AR-)XPS. We demonstrate this using a natively oxidized thin film of the topological crystalline insulator tin telluride (SnTe). This approach is not only complementary to existing depth profiling methods, but may also pave the way towards complete deconvolution of the XPS spectrum, facilitating a more comprehensive and holistic understanding of the surface chemistry of solids.

cond-mat.mes-hall↗

arXiv2023

Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb

Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground state volumes of chosen crystal structures and discuss possible transition paths to the bcc ground state structure and the energy landscape for tetragonal distortions. Furthermore, we discuss their stability by means of their phonon spectra and vibronic free energies. Second we analyze the impact of tantalum impurities on phase stability. Surprisingly we find new aspects of the energy landscape of the material which have been overlooked so far: A new local energy minimum on the bcc to omega transition path, a flat energy landscape with respect to uniaxial strain along [111] and a considerable stabilization of the sigma phase by Ta substitution.

cond-mat.mtrl-sci↗

arXiv2022

Fluctuation-Dissipation in Thermoelectrics

Thermoelectric materials exhibit correlated transport of charge and heat. The Johnson-Nyquist noise formula $ 4 k_B T R $ for spectral density of voltage fluctuations accounts for fluctuations associated solely with Ohmic dissipation. Applying the fluctuation-dissipation theorem, we generalize the Johnson-Nyquist formula for thermoelectrics, finding an enhanced voltage fluctuation spectral density $4 k_B T R (1 + ZT)$ at frequencies below a thermal cut-off frequency $f_T$, where $ZT$ is the dimensionless thermoelectric material figure of merit. The origin of the enhancement in voltage noise is thermoelectric coupling of temperature fluctuations. We use a wideband ($f_T\sim1$ kHz), integrated thermoelectric micro-device to experimentally confirm our findings. Measuring the $ZT$ enhanced voltage noise, we experimentally resolve temperature fluctuations with an amplitude of $0.8~μ\mathrm{K} \mathrm{Hz}^{-1/2}$ at a mean temperature of 295 K. We find that thermoelectric devices can be used for thermometry with sufficient resolution to measure the fundamental temperature fluctuations described by the fluctuation-dissipation theorem.

cond-mat.mtrl-sci↗

arXiv2018

Thermoelectric determination of electronic entropy change in Ni-doped FeRh

The net entropy change corresponding to the charge carriers in a Ni-doped FeRh bulk polycrystal was experimentally evaluated in a single sample using low temperature heat capacity experiments with applied magnetic field, and using Seebeck effect and Hall coefficient measurements at high temperatures across the first order transition. From the heat capacity data a value for the electronic entropy change $ΔS_{el}\approx8.9$ J\ kg$^{-1}$K$^{-1}$ was extracted, whereas a value of up to 4 J\ kg$^{-1}$K$^{-1}$ was obtained form the Seebeck coefficient. Additionally, the analysis of the Seebeck coefficient allows tracing the evolution of the electronic entropy change with applied magnetic field. An increase of the electronic entropy with increasing applied magnetic field is evidenced, as high as 10 percent at 6 T.

cond-mat.mtrl-sci↗

arXiv2012

Laser-sintered thin films of doped SiGe nanoparticles

We present a study of the morphology and the thermoelectric properties of short-pulse laser-sintered (LS) nanoparticle (NP) thin films, consisting of SiGe alloy NPs or composites of Si and Ge NPs. Laser-sintering of spin-coated NP films in vacuum results in a macroporous percolating network with a typical thickness of 300 nm. The Seebeck coefficient is independent of the sintering process and typical for degenerate doping. The electrical conductivity of LS films rises with increasing temperature, best described by a power-law and influenced by two-dimensional percolation effects.

cond-mat.mtrl-sci↗