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Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
The landscape of two-dimensional photonics has been dominated by van der Waals (vdW) materials. Expanding this library to include non-vdW layered systems promises enhanced environmental robustness and access to novel functionalities, such…
Molecular orbital (MO) systems with clusters of heavy transition metal (TM) ions are one of the most important classes of model materials for studying the interplay between local physics and effects of itinerancy. Despite a large number of…
In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…
Recent developments highlighting the promise of two-dimensional perovskites have vastly increased the compositional search space in the perovskite family. This presents a great opportunity for the realization of highly performant devices,…
Transparent Conductive Oxides (TCOs) are a class of materials that combine high optical transparency with high electrical conductivity. This property makes them uniquely appealing as transparent-conductive electrodes in solar cells and…
On the example of TiO$_4$ layer (such as realized in Sr$_2$TiO$_4$) we study electronic structure of multi-band $d-p$ models describing transition metal perovskites. In agreement with the experiment, the studied system is predicted to be a…
We report low-temperature measurements of current-voltage characteristics for highly conductive Nb/Al-AlOx-Nb junctions with thicknesses of the Al interlayer ranging from 40 to 150 nm and ultra-thin barriers formed by diffusive oxidation of…
Hybrid perovskites are a rapidly growing research area, having reached photovoltaic power conversion efficiencies of over 25 \%. We apply a symmetry-motivated analysis method to analyse X-ray pair distribution function data of the cubic…
Understanding the role of electron correlations in strong spin-orbit transition-metal oxides is key to the realisation of numerous exotic phases including spin-orbit assisted Mott insulators, correlated topological solids, and prospective…
Two-dimensional (2D) materials with narrow band gaps (~0.3 eV) are of great importance for realizing ambipolar transistors and mid-infrared (MIR) detection. However, most of the 2D materials studied so far have band gaps that are too large.…
The interface formation between copper phthalocyanine (CuPc) and two representative metal substrates, i.e., Au and Co, was investigated by the combination of ultraviolet photoelectron spectroscopy and inverse photoelectron spectroscopy. The…
Using density functional theory (DFT)-based calculations, we propose a family of metastable, as-yet unmade V5+ and Cr6+ double perovskite compounds with low band gaps spanning much of the visible region of the solar spectrum. Through…
A$_2$BB$^\prime$X$_6$ halide double perovskites based on bismuth and silver have recently been proposed as potential environmentally-friendly alternatives to lead-based hybrid halide perovskites. In particular, Cs$_2$BiAgX$_6$ (X = Cl, Br)…
The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…
Hydrogel/inorganic composites have attracted attention in many applications, such as optoelectronic devices, biosensors, catalysis, and energy storage because of their capacity to increase and regulate optical and electronic features. In…
We use ab initio global structural prediction, and specifically the minima hopping method, to explore the periodic table in search of novel oxide phases. In total, we study 183 different compositions of the form MXO2, where M=(Cu, Ag, Au)…
The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class…
Understanding fundamental properties of materials is necessary for all modern electronic technologies. Toward this end, the fabrication of new ultrapure thin film materials is critical to discover and understand novel properties that can…
5d transition-metal-based oxides display emergent phenomena due to the competition between the relevant energy scales of the correlation, bandwidth, and most importantly, the strong spin-orbit coupling (SOC). Starting from the prediction of…