Related papers: Experimental quantification of atomically-resolved…
Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as…
Thermally activated delayed fluorescence (TADF) is a promising route towards high-efficiency, metal-free organic light-emitting diodes (OLEDs). However, the characterization of TADF kinetics in solid-state thin films is often complicated by…
Scanning Transmission Electron Microscopy (STEM) enables the observation of atomic arrangements at sub-angstrom resolution, allowing for atomically resolved analysis of the physical and chemical properties of materials. However, due to the…
Synthesizing distinct phases and controlling the crystalline defects in them are key concepts in materials and process design. These approaches are usually described by decoupled theories, with the former resting on equilibrium…
Nanotechnology research requires the routine use of characterization methods with high spatial resolution. These experiments are rather costly, not only from the point of view of the expensive microscopes, but also considering the need of a…
The electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT+HIA and DFT+ED). The influence of the electron…
Development in lattice strain mapping using four-dimensional scanning transmission electron microscopy (4D-STEM) method now offers improved precision and feasibility. However, automatic and accurate diffraction analysis is still challenging…
Geometry optimization is efficient using generalized Gaunt coefficients, which significantly limit the amount of cross differentiation for multi-center integrals of high-angular-momentum solid-harmonic basis sets. We parameterize the fully…
Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…
Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic…
The Ruddlesden-Popper ($A_{n+1}B_{n}\text{O}_{3n+1}$) compounds are a highly tunable class of materials whose functional properties can be dramatically impacted by their structural phase $n$. The negligible energetic differences associated…
The bowing of the energy of the three lowest band-to-band transitions in $\beta$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ alloys was resolved using a combined density functional theory (DFT) and generalized spectroscopic ellipsometry (GSE) approach.…
Nitrogen (N) fractionation is used as a tool to search for a link between the chemical history of the Solar System and star-forming regions. A large variation of $^{14}$N/$^{15}$N is observed towards different astrophysical sources, and…
White light emitting diodes based on III-nitride InGaN/GaN quantum wells currently offer the highest overall efficiency for solid state lighting applications. Although current phosphor-converted white LEDs have high electricity-to-light…
We test the performance of our analysis technique for integrated-light spectra by applying it to seven well-studied Galactic GCs that span a wide range of metallicities. Integrated-light spectra were obtained by scanning the slit of the…
We present the development of a new algorithm which combines state-of-the-art energy-dispersive X-ray (EDX) spectroscopy theory and a suitable machine learning formulation for the hyperspectral unmixing of scanning transmission electron…
The equation of state with light clusters for nuclear and stellar matter is determined using chemical equilibrium constants evaluated from the analysis of the recently published (Xe$+$Sn) heavy ion data, corresponding to three reactions…
We report on resonant optical spectroscopy of self-assembled InGaAs quantum dots in which the number of electrons can accurately be tuned to N=0,1,2 by an external gate voltage. Polarization, wave vector and magnetic field dependent…
Constructed to satisfy all known exact constraints and appropriate norms for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation functional has shown early promise…
The Al-Ga intermixing at Al(Ga)N/GaN interfaces in nanowires and the chemical inhomogeneity in AlxGa1-xN/AlN nanodisks (NDs) are attributed to the strain relaxation process. This interpretation is supported by the three-dimensional strain…