5 papers · 1 filter
Accelerated development of amorphous InZnO thin films as transparent conductive Cu diffusion barriers
Stefanie Frick, Reyu Sakakibara, Manuel Kober-Czerny +4
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 re…
Tuning the optoelectronic properties of wide bandgap perovskites: Data-driven insights from combinatorial synthesis and high-throughput experimentation
Alexander Wieczorek, Sergey Tsarev, Nathan Rodkey +4
The discovery and optimization of wide-bandgap lead halide perovskites (LHPs) is hindered by solution-based workflows with limited scalability. Large compositional parameter spaces…
Boron Co-Alloying in AlScN Wurtzite Ferroelectrics: Insights from an 850-Sample Combinatorial Study
Federica Messi, Nathan Rodkey, Manuel Kober-Czerny +1
AlScN wurtzite ferroelectrics are promising candidates for energy-efficient non-volatile memory. However, AlScN suffers from a high coercive field and reduced cycling endurance, an…
Machine-Learning-enabled ab initio study of quantum phase transitions in SrTiO
Jonathan Schmidt, Nicola A. Spaldin
We use the self-consistent harmonic approximation (SSCHA) with machine learning interatomic potentials to calculate the effect of O substitution on the properties of quantum…
Accelerating the development of oxynitride thin films: A combinatorial investigation of the Al-Si-O-N system
Stefanie Frick, Oleksandr Pshyk, Arnold Müller +3
Oxynitrides are used in a variety of applications including photocatalysts, high-k dielectrics or wear-resistant coatings and often show intriguing multi-functionality. To accelera…