arXiv subjects

Sascha Sadewasser

Publications and source records attributed to Sascha Sadewasser.

4 recordsLinked to original sources

arXiv2026

ML-guided screening of chalcogenide perovskites as solar energy materials

Chalcogenide perovskites have emerged as promising absorber materials for next-generation photovoltaic devices, yet their experimental realization remains limited by competing phases, structural polymorphism, and synthetic challenges. Here, we present a fully data-driven and experimentally grounded screening and ranking framework to assess the stability and experimental feasibility of chalcogenide perovskites, integrating interpretable analytical descriptors, machine-learning models, and sustainability metrics. Using a curated experimental dataset of halide and chalcogenide compounds, we derive a new tolerance factor via the SISSO (sure independence screening and sparsifying operator) algorithm that more accurately distinguishes perovskite-forming compositions than established tolerance-factor-based screening criteria. This descriptor is combined with generative crystal structure prediction, composition-based bandgap estimation, and machine-learning-based feasibility assessment to systematically explore a wide chemical space of hypothetical chalcogenide perovskites. The resulting candidates are further evaluated using sustainability indicators, enabling multi-objective ranking tailored to both single-junction and tandem photovoltaic architectures. Beyond identifying several promising and previously unexplored chalcogenide perovskites, this work demonstrates a transferable screening strategy for chemically constrained materials spaces that balances optoelectronic performance, experimental viability, and long-term sustainability.

cond-mat.mtrl-sci↗

arXiv2022

Van Der Waals Heteroepitaxy of GaSe and InSe, Quantum Wells and Superlattices

Bandgap engineering and quantum confinement in semiconductor heterostructures provide the means to fine-tune material response to electromagnetic fields and light in a wide range of the spectrum. Nonetheless, forming semiconductor heterostructures on lattice-mismatched substrates has been a challenge for several decades, leading to restrictions for device integration and the lack of efficient devices in important wavelength bands. Here, we show that the van der Waals epitaxy of two-dimensional (2D) GaSe and InSe heterostructures occur on substrates with substantially different lattice parameters, namely silicon and sapphire. The GaSe/InSe heterostructures were applied in the growth of quantum wells and superlattices presenting photoluminescence and absorption related to interband transitions. Moreover, we demonstrate a self-powered photodetector based on this heterostructure on Si that works in the visible-NIR wavelength range. Fabricated at wafer-scale, these results pave the way for an easy integration of optoelectronics based on these layered 2D materials in current Si technology.

cond-mat.mtrl-sci↗

arXiv2022

Effect of gallium doping on structural and transport properties of the topological insulator Bi2Se3 grown by molecular beam epitaxy

Topological insulators possess a non-conductive bulk and present surface states, henceforth, they are electrically conductive along their boundaries. Bismuth selenide ($Bi_2Se_3$) is one of the most promising topological insulators. However, a major drawback is its n-type nature arising from its natural doping, which makes the transport in the bulk dominant. This effect can be overcome by shifting the chemical potential into the bandgap, turning the transport of the surface states to be more pronounced than the bulk counterpart. In this work, $Bi_2Se_3$ was grown by molecular beam epitaxy and doped with 0.8, 2, 7, and 14 at. % of Ga, with the aim of shifting the chemical potential into the bandgap. The structural, morphological, and electronic properties of the Ga doped $Bi_2Se_3$ are studied. Raman and X-ray diffraction measurements confirmed the incorporation of the dopants into the crystal structure. Transport and magnetoresistance measurements in the temperature range of 1.5 to 300 K show that Ga-doped $Bi_2Se_3$ is n-type with a bulk charge carrier concentration of $10^{19} cm^{-3}$. Remarkably, magnetotransport of the weak antilocalization effect (WAL) measurements confirm the existence of surface states up to a doping percentage of 2 at. % of Ga and coherence length values between 50-800 nm, which envisages the possibility of topological superconductivity in this material.

cond-mat.mtrl-sci↗

arXiv2020

Wafer-scale fabrication of two-dimensional beta-In2Se3 photodetectors

The epitaxial growth of two-dimensional (2D) $β-In_2Se_3$ material was obtained over 2-inches c-sapphire wafers using molecular beam epitaxy (MBE). Excellent quality of thick (90 nm) and very thin films, down to two quintuple layers (2 nm), was confirmed by x-ray diffraction (XRD), Raman spectroscopy, and aberration-corrected scanning transmission electron microscopy (ac-STEM). Wafer-scale fabrication of photodetectors based on five quintuple layers was produced using photolithography and other standard semiconductor processing methods. The photodetectors exhibit responsivity of 3 mA/W, peak specific detectivity (D*) of $10^9$ Jones, external quantum efficiency (EQE) of 0.67 % at 550 nm, and response-time of ~7 ms, which is faster than any result previously reported for $β-In_2Se_3$ photodetectors. From the photocurrent measurements, an optical bandgap of 1.38 eV was observed. These results on wafer-scale deposition of 2D $In_2Se_3$, as well as its fabrication into optoelectronic devices provide the missing link that will enable the commercialization of 2D materials.

cond-mat.mtrl-sci↗