Related papers: Quantitative structural and textural assessment of…
The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…
Mid-infrared (IR) observations of polycyclic aromatic hydrocarbons (PAHs) and molecular hydrogen emission are a potentially powerful tool to derive physical properties of dense environments irradiated by intense UV fields. We present new,…
Accurate and simple local strain assessment in graphene is one of the crucial tasks in device characterization. Raman spectroscopy is often used for that purpose through monitoring of the G and 2D modes. However, the shifts of those two…
We compute the linear optical properties of different reconstructions of the clean and hydrogenated Si(100) surface within DFT-LDA, using norm-conserving pseudopotentials. The equilibrium atomic geometries of the surfaces, determined from…
Raman spectroscopy is widely used to assess the quality of 2D materials thin films. This report focuses on $\rm{PtSe_2}$, a noble transition metal dichalcogenide which has the remarkable property to transit from a semi-conductor to a…
Atomically thin polycrystalline transition-metal dichalcogenides (TMDs) are relevant to both fundamental science investigation and applications. TMD thin-films present uniquely difficult challenges to effective nanoscale crystalline…
Layered materials (LMs) are at the centre of an ever increasing research effort due to their potential use in a variety of applications. The presence of imperfections, such as bi- or multilayer areas, holes, grain boundaries, isotropic and…
The atomic spectra and structure of the open d- and f-shell elements are extremely complex, where tens of thousands of transitions between fine structure energy levels can be observed as spectral lines across the infrared and UV per…
Different ways of dealing with one-dimensional (1D) spectra, measured e.g. in the Compton scattering or angular correlation of positron annihilation radiation (ACAR) experiments are presented. On the example of divalent hexagonal close…
Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes…
Raman spectra were measured for mono-, bi- and trilayer graphene grown on SiC by solid state graphitization, whereby the number of layers was pre-assigned by angle-resolved ultraviolet photoemission spectroscopy. It was found that the only…
The composition of Van-der-Waals heterostructures is conclusively determined using a hybrid evaluation scheme of data acquired by optical microspectroscopy. This scheme deploys a parameter set comprising both change in reflectance and…
Context. As revealed by high-resolution spectral investigations in the wavelength range between 300 and 400 nm, the interstellar extinction curve does not display any of the sharp electronic absorption bands that are characteristic for…
Fine-grain graphite targets have been exposed to ITER divertor relevant plasmas in Pilot-PSI to address material migration issues in fusion devices. Optical emission spectroscopy and mass loss measurements have been employed to quantify…
The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2O3, Ln=La...Lu) were calculated by a two-way crossover search for the U parameters for DFT+U…
Raman spectroscopic study of amorphous carbon layers for two different excitation wavelengths at room temperature. The amount of sp3 bondings is estimated to about 10% for both samples, evaluated from the ratio of the D- and G-Raman line…
We calculate the wavelength dependence of the ratio of the linear polarization degree to extinction (polarizing efficiency) $P(\lambda)/A(\lambda)$ from the ultraviolet to near-infrared. The prolate and oblate particles with aspect ratios…
Recent advances in high-throughput experimentation for combinatorial studies have accelerated the discovery and analysis of materials across a wide range of compositions and synthesis conditions. However, many of the more powerful…
The influence of edge roughness in angle resolved scatterometry at periodically structured surfaces is investigated. A good description of the radiation interaction with structured surfaces is crucial for the understanding of optical…
We present a comprehensive study of graphene grown by chemical vapor deposition on copper single crystals with exposed (100), (110) and (111) faces. Direct examination of the as-grown graphene by Raman spectroscopy using a range of visible…