arXiv subjects

Sebastian Siol

Publications and source records attributed to Sebastian Siol.

At least 19 recordsLinked to original sources

arXiv2026

Accelerated development of amorphous InZnO thin films as transparent conductive Cu diffusion barriers

In light of the increasing supply chain concerns regarding silver for solar cell metallization, the replacement of the silver contacts by copper is desirable. As copper diffuses readily in silicon, deposition of an additional diffusion barrier to protect the respective absorber material stacks is required. We investigate multifunctional layers of transparent conductive oxides (TCOs) from the In-Zn-O system to serve as front electrode and Cu diffusion barrier coating, focusing on purely amorphous layers without grain boundaries to impede copper diffusion. We employ a 2D combinatorial approach to simultaneously screen the Zn/(In+Zn) ratio and the oxygen content in a single materials library deposited by magnetron sputtering without intentional substrate heating. Cu diffusion barrier performance was evaluated by depositing Cu on top of intentionally ultrathin In-Zn-O libraries of 7 nm on silicon wafers and annealing them at temperatures of 200-450{\deg}C. Both the formation of copper silicides, as well as the silicon photoluminescence signal were monitored. The first was detected only after the crystallization of the In-Zn-O films and required annealing temperatures of 450{\deg}C and above. Even for extended dwell times of 20 h at a relevant process temperature of 200{\deg}C, we find no evidence of Cu ingress for most of our fabricated In-Zn-O compositions, whereas Si/Cu stacks without In-Zn-O barriers showed a reduction of their photo-luminescence intensity already after less than 1 h. These results suggest thin amorphous In-Zn-O films with an optimal Zn/(In+Zn) ratio of ~0.12 and intermediate oxygen deficiency as effective transparent conductive Cu diffusion barriers for solar cell applications.

cond-mat.mtrl-sci↗

arXiv2026

Tuning the optoelectronic properties of wide bandgap perovskites: Data-driven insights from combinatorial synthesis and high-throughput experimentation

The discovery and optimization of wide-bandgap lead halide perovskites (LHPs) is hindered by solution-based workflows with limited scalability. Large compositional parameter spaces present an additional challenge for materials optimization. Here, we establish an integrated, combinatorial workflow based on sequential physical vapor deposition that enables independent tuning of cation (Cs/Pb) and anion (Br/Cl) compositions. Applying automated structural, compositional, and optical characterizations across >500 samples regions of interest are rapidly screened in the quaternary Cs-Pb-Br-Cl space. From the screening, we establish a practical Cs/Pb window of 1.05-1.20 for wide bandgap perovskites, within which elevated PL yields were observed. Through in-depth analysis of the data set, we uncover a high-energy optical transition as a robust determinant for high PL yields. By combining mechanistic insight into the compositional origins of high PL efficiency with a fully integrated, high-throughput screening framework, and by openly releasing the complete multi-modal dataset, this work provides a broadly accessible benchmark to accelerate data-driven discovery of wide-bandgap perovskites.

cond-mat.mtrl-sci↗

arXiv2026

Physics-informed time-series forecasting of perovskite photoluminescence stability

Accelerated ageing using elevated temperatures and illumination is one of the most common methods to rapidly study the stability of novel semiconductor materials. However, as the pace of materials discovery continues to accelerate, even faster stability evaluations are needed. A physics-informed time-series forecasting algorithm designed to predict the long-term photoluminescence stability of metal halide perovskites is presented. A diverse experimental dataset of 167 metal halide perovskites is collected, including different crystallinities and compositions. These are stressed using heat and light, while the photoluminescence (PL) is monitored. The >86k collected PL spectra are featurized using a physics-informed model, and a hybrid CNN-LSTM model is trained to forecast the PL intensity during degradation of samples unseen during model training. Notably, the approach generalizes across the material groups and outperforms baseline benchmarks. Furthermore, the physics-based featurization ensures explainability, enabling analysis to identify critical stability descriptors for given predictions. It is expected that this approach will be adapted to other types of time-series data and enables a pathway to significantly reduce experimental testing times.

cond-mat.mtrl-sci↗

arXiv2026

Boron Co-Alloying in AlScN Wurtzite Ferroelectrics: Insights from an 850-Sample Combinatorial Study

AlScN wurtzite ferroelectrics are promising candidates for energy-efficient non-volatile memory. However, AlScN suffers from a high coercive field and reduced cycling endurance, and the limited tunability of its properties constrains further optimization. Co-doping AlScN with boron offers the promise of independently tailoring the chemical and structural properties, making AlScBN an attractive quaternary system. This material has already been explored for a few selected compositions, however, no systematic study of the full AlScBN compositional space exists. A combinatorial approach consisting of gradient deposition with HiPIMS at low temperatures of 250{\deg}C and automatic analysis of film properties allowed us to analyze a total of 850 unique samples within the AlScBN phase space. In addition to a full screening of the materials' chemical and structural properties, we fabricate and characterize combinatorial device libraries. XPS charge transfer analysis experimentally confirms that bond ionicity correlates with a reduction in the coercive field for AlScN and AlScBN systems, opposite trends are instead observed for AlBN. While the films maintain a high remanent polarization of 130-150 {\mu}C/cm2, Sc and B co-doping reduces the coercive field from 7 MV/cm to 3 MV/cm. Notably, B co-alloying lowers the amount of Sc needed to lower the coercive field, reducing reliance on this scarce element. In addition, we find that co-alloying with B, notably improves cycling endurance, which is related to a reduction in defect density. These results establish AlScBN as a scalable, CMOS-compatible ferroelectric, positioning it as an interesting alternative to AlScN.

cond-mat.mtrl-sci↗

arXiv2026

Loss Mechanisms in High-coherence Multimode Mechanical Resonators Coupled to Superconducting Circuits

Circuit quantum acoustodynamics (cQAD) devices have a wide range of applications in quantum science, all of which depend crucially on the quantum coherence of the mechanical subsystem. In this context, high-overtone bulk acoustic-wave resonators (HBARs) are particularly promising, since they have shown very high quality factors with negligible dephasing. However, the introduction of piezoelectric films, which are necessary for coupling to a superconducting circuit, can lead to additional loss channels, such as surface scattering and two-level systems (TLS). Here, we study the acoustic dissipation of HBAR resonators in cQAD systems and find that the defect density of the piezoelectric material and its interface with the bulk are limiting factors for the coherence. We measure acoustic modes with phonon lifetimes up to 400 $\mu$s and lifetime-limited coherence times approaching one millisecond in the quantum regime. When coupled to a superconducting qubit, this leads to a hybrid system with a large quantum coherence cooperativity of $C_{T_2}=1.1\times10^5$. These results represent a new milestone for the performance of cQAD devices and offer concrete paths forward for further improvements.

quant-ph↗

arXiv2026

Autonomous Sampling and SHAP Interpretation of Deposition-Rates in Bipolar HiPIMS

High-power impulse magnetron sputtering (HiPIMS) offers considerable control over ion energy and flux, making it invaluable for tailoring the microstructure and properties of advanced functional coatings. However, compared to conventional sputtering techniques, HiPIMS suffers from reduced deposition rates. Many groups have begun to evaluate complex pulsing schemes to improve upon this, leveraging multi-pulse schemes (e.g. pre-ionization or bipolar pulses). Unfortunately, the increased complexity of these pulsing schemes has led to high-dimensionality parameter spaces that are prohibitive to classic design of experi-ments. In this work we evaluate bipolar HiPIMS pulses for improving deposition rates of Al and Ti sputter tar-gets. Over 3000 process conditions were collected via autonomous Bayesian sampling over a 6-dimensional parameter space. These process conditions were then interpreted using Shapley Additive Explanations (SHAP), to deconvolute complex process influences on deposition rates. This allows us to link observed var-iations in deposition rate to physical mechanisms such as back-attraction and plasma ignition. Insights gained from this approach were then used to target specific processes where the positive pulse components were expected to have the highest impact on deposition rates. However, in practice, only minimal improve-ments in deposition rate were achieved. In most cases, the positive pulse appears to be detrimental when placed immediately after the neg. pulse which we hypothesize relates to quenching of the afterglow plasma. The proposed workflow combining autonomous experimentation and interpretable machine learning is broad-ly applicable to the discovery and optimization of complex plasma processes, paving the way for physics-informed, data-driven advancements in coating technologies.

physics.plasm-ph↗

arXiv2025

Accurate Reporting of Ion Time-of-Flight during HiPIMS with Gated Front-End Mass Spectrometry

The quality of high-power impulse magnetron sputtering (HiPIMS) deposited films can often improve through the effective use of metal-ion acceleration, requiring precise measurements of time-of-flight (ToF). These measurements are commonly done using time- and energy-resolved mass spectrometry but require careful consideration of the transit time of ions inside. The transit time is typically calculated by considering the travel length in various parts of the spectrometer (e.g. from orifice to detector), but errors associated with these estimations can lead to nonphysical values in a HiPIMS process (e.g. negative ToFs). Here we report a practical approach to determine ion ToF experimentally, using a bipolar HiPIMS power supply to synchronize a gating pulse to the front-end of a HIDEN Analytical EQP-300 mass spectrometer, placed at the working distance. The ToF is measured by applying a +70 V bias to repel ions, and a 5 us gating pulse of 0 V to accept them. To prevent interference with the HiPIMS plasma, a grounded shield is placed in front of the mass-spec head with a variable slit-opening (0.5-3 mm). The effectiveness of the shielding is verified by Langmuir probe measurements, noting negligible shifts in plasma potential for a DC sputter discharge. The gate is then synchronized to a HiPIMS pulse and data collected at 5 us intervals by adjusting the pulse delay. Measurements of the time-of-flights of Ar+, Al+, Sc+, Y+, and W+ ions are presented; Al+ and Ar+ ions were also compared to ToF calculated using mass spectrometry flight tube equations.

physics.ins-det↗

arXiv2025

Accelerating the development of oxynitride thin films: A combinatorial investigation of the Al-Si-O-N system

Oxynitrides are used in a variety of applications including photocatalysts, high-k dielectrics or wear-resistant coatings and often show intriguing multi-functionality. To accelerate the co-optimization of the relevant material properties of these compositionally complex oxynitride systems, high-throughput synthesis and characterization methods are desirable. In the present work, three approaches were investigated to obtain orthogonal anion and cation gradients on the same substrate by magnetron sputtering. The different approaches included varying positions of the local reactive gas inlets and different combinations of target materials. The best performing approach was applied to screen a large two-dimensional area of the quaternary phase space within the Al-Si-O-N system. This material system is a promising candidate for transparent protective coatings with variable refractive indices. With only five depositions of combinatorial libraries, an anion composition range of 2-46% O/(N+O) and a cation composition range of 4-44% Si/(Al+Si) is covered. For lower oxygen and silicon contents, a region with hardness of up to 25 GPa is observed, where the material exhibits either wurtzite AlN or a composite microstructure. By increasing the deposition temperature to 400 {\deg}C, an extension of this region can be achieved. At higher oxygen and silicon contents, the structure of the samples is X-ray amorphous. In this structural region, an intimate correlation between hardness and refractive index is confirmed. The results of this study introduce a practical approach to perform high-throughput development of mixed anion materials, which is transferable to many materials systems and applications.

cond-mat.mtrl-sci↗

arXiv2025

opXRD: Open Experimental Powder X-ray Diffraction Database

Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a bottleneck in high-throughput discovery in self-driving labs. Machine learning promises to resolve this bottleneck by enabling automated powder diffraction analysis. A notable difficulty in applying machine learning to this domain is the lack of sufficiently sized experimental datasets, which has constrained researchers to train primarily on simulated data. However, models trained on simulated pXRD patterns showed limited generalization to experimental patterns, particularly for low-quality experimental patterns with high noise levels and elevated backgrounds. With the Open Experimental Powder X-Ray Diffraction Database (opXRD), we provide an openly available and easily accessible dataset of labeled and unlabeled experimental powder diffractograms. Labeled opXRD data can be used to evaluate the performance of models on experimental data and unlabeled opXRD data can help improve the performance of models on experimental data, e.g. through transfer learning methods. We collected 92552 diffractograms, 2179 of them labeled, from a wide spectrum of materials classes. We hope this ongoing effort can guide machine learning research toward fully automated analysis of pXRD data and thus enable future self-driving materials labs.

cond-mat.mtrl-sci↗

arXiv2025

Ferroelectric AlScN thin films with enhanced polarization and low leakage enabled by high-power impulse magnetron sputtering

The demand for efficient data processing motivates a shift toward in-memory computing architectures. Ferroelectric materials, particularly AlScN, show great promise for next-generation memory devices. However, their widespread application is limited due challenges such as high coercive fields, leakage currents and limited stability. Our work introduces a novel synthesis approach for ferroelectric AlScN thin films using high-power impulse magnetron sputtering (HiPIMS). Through a combinatorial study, we investigate the effect of scandium content and substrate bias on the ferroelectric properties of AlScN films deposited using metal-ion synchronized (MIS) HiPIMS. Leveraging the high ionization rates of HiPIMS and optimally timed substrate bias potentials, we enhance the adatom mobility at low temperatures. Our films exhibit a high degree of texture and crystallinity as well as low roughness at temperatures as low as 250{\deg}C. Most importantly, the films exhibit coercive fields comparable to state-of-the-art values (5 MV/cm) with significantly enhanced remanent polarization (158-172.0 {\mu}C/cm2). Notably, the remanent polarization remains stable across varying scandium concentrations. We further evaluate cycling stability and leakage current to assess suitability for memory applications. This study demonstrates HiPIMS as a scalable and CMOS compatible technique for synthesizing high-quality ferroelectric AlScN films, paving the way for their application in non-volatile memory applications.

physics.app-ph↗

arXiv2024

Low Temperature Deposition of Functional Thin Films on Insulating Substrates: Selective Ion Acceleration using Synchronized Floating Potential HiPIMS

Ionized physical vapor deposition techniques, such as high-power impulse magnetron sputtering (HiPIMS) are gaining popularity due to their ability to produce high-quality thin films at low deposition temperatures. In those techniques, ions are commonly accelerated onto the growing film using negative potential applied to the substrate. One key challenge however is, how such potentials can be applied on insulating or electrically floating substrates. In this work, we present a novel approach for low-temperature deposition of high-quality thin films on insulating substrates using Synchronized Floating Potential High-Power Impulse Magnetron Sputtering (SFP-HiPIMS). This technique leverages the negative floating potential, induced on the substrate during the HiPIMS discharge. By synchronizing the ion arrival with the substrate's floating potential, specific ions can be accelerated preferentially, thereby enhancing adatom mobility and improving film quality while mitigating the detrimental effects of Ar+ ion bombardment. Our proof-of-concept study demonstrates the deposition of high-quality, textured Al0.8Sc0.2N thin films on various insulating substrates at low temperatures. We show that synchronizing the Al and Sc ion fluxes with the induced negative floating potential significantly enhances the films' crystallinity, c-axis texture and at the same time reduces residual stress. In addition, it enables epitaxial growth on sapphire at temperatures as low as 100{\deg}C. The results of this study demonstrate that SFP-HiPIMS provides a practical and economical solution for a long-standing challenge in physical vapor deposition, which can be implemented in standard deposition equipment. SFP-HiPIMS therefore paves the way for advanced manufacturing processes in various emerging technologies.

physics.app-ph↗

arXiv2024

Deposition of highly-crystalline AlScN thin films using synchronized HiPIMS -- from combinatorial screening to piezoelectric devices

Fueled by the 5G revolution, the demand for advanced radio frequency micro-electromechanical systems (MEMS) based on AlScN is growing rapidly. However, synthesizing high-quality, textured AlScN thin films is challenging. Current approaches typically rely on high temperatures and expensive compound targets. In this study, we demonstrate the feasibility of ionized physical vapor deposition to deposit highly oriented AlScN films with minimal defects at lower temperatures. Using metal-ion synchronized high-power impulse magnetron co-sputtering (MIS-HiPIMS) we can selectively bombard the growing film with Al and/or Sc ions to enhance the adatom mobility while simultaneously providing the ability to tune stress and coat complex structures conformally. We find that the Sc solubility in wurtzite AlN is slightly reduced, whereas crystallinity and texture are markedly improved. Disoriented grains, a key challenge in growing AlScN films, are completely removed via substrate biasing, while the residual stress can be tailored by adjusting the same. The measured piezoelectric response of the films is in line with DFT predictions and on par with the current state of the art. Finally, we demonstrate conformal deposition of c-axis textured AlScN on structured Si wafers underlining the promise of ionized PVD for the fabrication of advanced RF filters and next-generation MEMS devices.

cond-mat.mtrl-sci↗

arXiv2023

Advancing High-Throughput Combinatorial Aging Studies of Hybrid Perovskite Thin-Films via Precise Automated Characterization Methods and Machine Learning Assisted Analysis

To optimize materials' stability, automated high-throughput workflows are of increasing interest. However, many of those workflows use processes not suitable for large-area depositions which limits the transferability of results. While combinatorial approaches based on vapour-based depositions are inherently scalable, their potential for controlled stability assessments has yet to be exploited. Based on MAPbI3 thin-films as a prototypical system, we demonstrate a combinatorial inert-gas workflow to study materials degradation based on intrinsic factors only, closely resembling conditions in encapsulated de-vices. Through a comprehensive set of automated X-Ray fluorescence (XRF), X-Ray diffraction (XRD) and UV-Vis characterizations, we aim to obtain a holistic understanding of thin-film properties of pristine and aged thin-films. From phase changes derived from XRD characterizations before and after aging, we observe simi-lar aging behaviours for MAPbI3 thin-films with varying PbI2 residuals. Using a custom-designed in-situ UV-Vis aging setup, the combinatorial libraries are exposed to relevant aging conditions, such as heat or light-bias exposure. Simultaneously, UV-Vis photospectroscopy is performed to gain kinetic insights into the aging process which can be linked to intrinsic degradation processes such as autocatalytic decomposition. Despite scattering effects, which complicate the conventional interpretation of in-situ UV-Vis results, we demonstrate how a machine learning model trained on the comprehensive characterization data before and after the aging process can link optical changes to phase changes during aging. Consequently, this approach does not only enable semi-quantitative comparisons of materials' stability but also provides detailed insights into the underlying degradation processes which are otherwise mostly reported for investigations on single samples.

physics.app-ph↗

arXiv2023

Combinatorial Reactive Sputtering with Auger Parameter Analysis Enables Synthesis of Wurtzite Zn2TaN3

The discovery of new functional materials is one of the key challenges in materials science. Combinatorial high-throughput approaches using reactive sputtering are commonly employed to screen unexplored phase spaces. During reactive combinatorial deposition the process conditions are rarely optimized, which can lead to poor crystallinity of the thin films. In addition, sputtering at shallow deposition angles can lead to off-axis preferential orientation of the grains. This can make the results from a conventional structural phase screening ambiguous. Here we perform a combinatorial screening of the Zn-Ta-N phase space with the aim to synthesize the novel semiconductor Zn2TaN3. While the results of the XRD phase screening are inconclusive, including chemical state analysis mapping in our workflow allows us to see a very clear discontinuity in the evolution of the Ta binding environment. This is indicative of the formation of a new ternary phase. In additional experiments, we isolate the material and perform a detailed characterization confirming the formation of single phase WZ-Zn2TaN3. Besides the formation of the new ternary nitride, we map the functional properties of ZnxTa1-xN and report previously unreported clean chemical state analysis for Zn3N2, TaN and Zn2TaN3. Overall, the results of this study showcase common challenges in high-throughput materials screening and highlight the merit of employing characterization techniques sensitive towards changes in the materials' short-range order and chemical state.

cond-mat.mtrl-sci↗

arXiv2023

Improving the crystallinity and texture of oblique-angle-deposited AlN thin films using reactive synchronized HiPIMS

Many technologies require highly-oriented and textured functional thin films. The most common synthe-sis approaches use on-axis sputter geometries. However, in some scenarios, on-axis sputtering is not feasible. During ionized physical vapor deposition (PVD), in contrast to conventional PVD, the film-forming species can be accelerated onto the growing film using substrate-bias potentials. This increas-es the ad-atom mobility, but also deflects the trajectory of ions towards the substrate increasing the texture of the growing film. However, potential gas-ion incorporation in the films limits the feasibility of such approaches for the deposition of defect-sensitive materials. In this work, we report on the oblique-angle deposition of highly c-axis oriented AlN (0002) films, enabled by reactive metal-ion syn-chronized HiPIMS. The effect of critical deposition parameters, such as the magnetic configuration, ion kinetic energies and substrate biasing are investigated. The films deposited using HiPIMS show a more pronounced texture and orientation compared to DCMS films. We find that combining the HiPIMS dep-ositions with a moderate substrate bias of -30 V is sufficient to improve the crystalline quality and tex-ture of the films significantly. To reduce process-gas incorporation, and the formation of point defects, the negative substrate-bias potential is synchronized to the Al-rich fraction of each HiPIMS pulse. This leads to reduced Ar-Ion incorporation and improves the structural properties. The films also show uni-form polarization of the grains making this synthesis route suitable for piezoelectric applications. While the compressive stress in the films is still high, the results demonstrate, that synchronized HiPIMS can yield promising results for the synthesis under oblique-angle deposition conditions - even with low substrate-bias potentials.

cond-mat.mtrl-sci↗

arXiv2022

Resolving oxidation states and Sn-halide interactions of perovskites through Auger parameter analysis in XPS

Reliable chemical state analysis of Sn semiconductors by XPS is hindered by the marginal observed shift in the Sn 3d region. For hybrid Sn-based perovskites especially, errors associated with charge referencing can easily exceed chemistry-related shifts. Studies based on the modified Auger parameter ${\alpha}'$ provide a suitable alternative and have been used previously to resolve different chemical states in Sn alloys and oxides. However, the meaningful interpretation of Auger parameter variations on Sn-based perovskite semiconductors requires fundamental studies. In this work, we perform a comprehensive Auger parameter study through systematic compositional variations of Sn halide perovskites. We find that in addition to the oxidation state, ${\alpha}'$ is highly sensitivity to the composition of the halide-site, inducing shifts of up to ${\Delta}{\alpha}' = 2 eV$ between ASnI$_3$ and ASnBr$_3$ type perovskites. The reported dependencies of ${\alpha}'$ on the Sn oxidation state, coordination and local chemistry provide a framework that enables reliable tracking of degradation as well as X-site interaction for Sn-based perovskites and related compounds. The higher robustness and sensitivity of such studies not only enables more in-depth surface analysis of Sn-based perovskites than previously performed, but also increases reproducibility across laboratories.

cond-mat.mtrl-sci↗

arXiv2022

High-Performance Flexible All-Perovskite Tandem Solar Cells with Reduced VOC-Deficit in Wide-Bandgap Subcell

Among various types of perovskite-based tandem solar cells (TSCs), all-perovskite TSCs are of particular attractiveness for building- and vehicle-integrated photovoltaics, or space energy areas as they can be fabricated on flexible and lightweight substrates with a very high power-to-weight ratio. However, the efficiency of flexible all-perovskite tandems is lagging far behind their rigid counterparts primarily due to the challenges in developing efficient wide-bandgap (WBG) perovskite solar cells on the flexible substrates as well as the low open-circuit voltage (VOC) in the WBG perovskite subcell. Here, we report that the use of self-assembled monolayers as hole-selective contact effectively suppresses the interfacial recombination and allows the subsequent uniform growth of a 1.77 eV WBG perovskite with superior optoelectronic quality. In addition, we employ a post-deposition treatment with 2-thiopheneethylammonium chloride to further suppress the bulk and interfacial recombination, boosting the VOC of the WBG top cell to 1.29 V. Based on this, we present the first proof-of-concept four-terminal all-perovskite flexible TSC with a PCE of 22.6%. When integrating into two-terminal flexible tandems, we achieved 23.8% flexible all-perovskite TSCs with a superior VOC of 2.1 V, which is on par with the VOC reported on the 28% all-perovskite tandems grown on the rigid substrate.

physics.app-ph↗

arXiv2022

Chemical state analysis of reactively sputtered zinc vanadium nitride: The Auger parameter as a tool in materials design

Photoelectron spectroscopy is an important tool for the development of new materials. However, especially for nitride semiconductors, the formation of surface oxides, surface band bending as well as the lack of a suitable charge reference often prevent a robust analysis. Here, we perform a comprehensive chemical state analysis of the Zn-V-N phase space using the Auger parameter concept, which is less sensitive to such uncertainties. Phase-pure Zn2VN3, VN, and Zn3N2 samples are analyzed using XPS/HAXPES after transfer in inert-gas atmosphere. In addition, high-throughput chemical state analysis is performed on combinatorial Zn1-xVxN thin film libraries. The evolution of the Zn Auger parameter in Zn1-xVxN is consistent with previous mapping of the structural and functional properties. Strikingly, the study reveals a narrower stability range of wurtzite Zn1-xVxN than our previous high-throughput XRD screening, highlighting the sensitivity of the measurement approach. The procedures applied here are transferable to many other material systems and could be particularly useful for the high-throughput development of materials with low crystallinity where insights from XRD screenings are limited.

cond-mat.mtrl-sci↗