Related papers: Resolving oxidation states and Sn-halide interacti…
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…
Shifting the Fermi energy in solids by doping, defect formation or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding pattern in solids to adjust to such external perturbations.…
Auger parameter analysis provides in-depth information about the electronic and chemical bonding properties of TiN and AlN thin films, which are relevant across a wide range of technologies. Meaningful interpretation and analysis of the…
Understanding and controlling the chemical states both in the bulk and at the interfaces of complex oxide thin films is essential for engineering a wide range of electronic, optical, and magnetic functionalities, which arise through…
Probing the local structure and chemistry of wide-bandgap amorphous oxide thin films remains challenging due to the limitations of lab-based spectroscopy. This work integrates X-ray photoelectron spectroscopy (XPS), hard X-ray photoemission…
Halide perovskites are a promising class of materials for optoelectronic applications, due to their excellent optoelectronic performance. However, they suffer several dynamical degradation problems, the characterization of which is…
The chemical states of Ni, Zn, and W in microcrystalline NiWO$_4$-ZnWO$_4$ solid solutions were studied by X-ray photoelectron spectroscopy. The recorded spectra of the Ni 2p, Zn 2p, and W 4f photoelectron lines and Ni…
Complex oxide perovskites have been widely studied for their diverse functional properties. When dimensionally reduced to epitaxial thin films and heterostructures these properties are frequently tunable, and the symmetry-breaking inherent…
The greater information depth provided in Hard X-ray Photoelectron Spectroscopy (HAXPES) enables non-destructive analyses of the chemistry and electronic structure of buried interfaces. Moreover, for industrially relevant elements like Al,…
We propose Auger-like process assisted by quantum defects in metal halide perovskite quantum dots, where a charge carrier in the ground state of the quantum dot is trapped by quantum defects, resulting in another charge carrier in defect is…
We have performed $^{119}$Sn-NMR measurements on the antiperovskite oxide superconductor Sr$_{3-x}$SnO to investigate how its normal state changes with the Sr deficiency. A two-peak structure was observed in the NMR spectra of all the…
The performance of modern light-emitting technologies, from lasers to LEDs, is limited by nonradiative losses, with Auger recombination being the dominant channel at device-relevant carrier densities. Reliable modeling of this process is…
A large variety of perovskite oxide superconductors are known, including some of the most prominent high-temperature and unconventional superconductors. However, superconductivity among the oxidation state inverted material class, the…
Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…
Two-dimensional (2D) perovskites show higher stability in comparison to their three-dimensional (3D) counterparts. Therefore, 2D perovskites have invoked remarkable attention in basic understanding of their physical properties and…
Chalcogenide perovskites (CPs) have emerged as promising materials for optoelectronic applications due to their stability, non-toxicity, small bandgaps, high absorption coefficients, and defect tolerance. Although transition metal-based…
The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. In this work, we develop a…
The atomic scale dynamics of halide perovskites have a direct impact not only on their thermal stability but their optoelectronic properties. Progress in machine learned potentials has only recently enabled modeling the finite temperature…
We revisit first-principles predictions of structural, ferroelectric, and electronic properties in aluminum-based III-V nitride alloys, focusing on Al1-xScxN and Al1-xBxN. Using density functional theory within a unified 48-atom supercell…
The perovskite oxides are known to be susceptible to structural distortions over a long wavelength when compared to their parent cubic structures. From an ab initio simulation perspective, this requires accurate calculations including many…