We clarify some analytical expressions existing in the literature, • Within the correct formulae we conclude that there is no need for an ad hoc improvement on the opposite to the title paper, • We highlight the symmetry properties of the function to be integrated in order to agree with the usual assumptions made to derive the Kramers-Kronig relations, • The analytical formula we provide may be used to increase the accuracy of the "Poor Man's Kramers-Kronig analysis" method and the "Kramers-Kronig constrained variational analysis" method.

Filling carbon nanotubes with molecules is a route for the development of electronically modified one-dimensional hybrid structures for which the interplay between the electronic structure of molecules and nanotubes is a key factor. Tuning these energy levels with external parameters is an interesting strategy for the engineering of new devices and materials. Here we show that the hybrid system composed by quaterthiophene (4T) molecules confined in single-walled carbon nanotubes, presents a piezo-Raman-resonance of the molecule vibrational pattern. This behavior manifests as a rapid pressure induced enhancement of the 4T Raman mode intensities compared to the tubes G-band Raman modes. Density functional theory calculations allow to explain the spectral behaviour through the pressure-enhanced quaterthiophene resonance evolution. By increasing pressure, the tube cross-section deformation leads to a reduction of the intermolecular distance, to the splitting of the molecular levels and then to an increase of resonance channels. Calculations and experiments converge to the 4T piezo-resonance scenario associated with the pressure-induced nanotube radial collapse observed at about 0.8 GPa. Our findings offer possibilities for the development of pressure transducers based on molecule-filled carbon nanotubes.

We report a detailed experimental investigation of the influence of the formation of nano-crystallites on the vibrational, electronic and optical properties of CrSi₂ thin films. Both amorphous and nanostructured thin films were investigated by means of electrical resistivity, Hall effect measurements as well as Raman and infrared spectroscopies. We show that both types of films exhibit a semiconducting-like behavior, with the notable difference that the high defect concentrations in amorphous films act as hole donors, modifying the electronic band structure and optical constants. The effect of the film thickness on electrical properties is well captured by the Fuchs-Sondheimer model indicating a decrease in the charge carrier mean free path, likely due to the formation of amorphous/nano-crystallite interfaces that contribute to strongly scatter the charge carriers. Raman spectroscopy performed on nano-crystallized thin films evidences the presence of a Raman-active mode at 229 cm^-1 and confirms DFT calculations predicting a mode at 248 cm^-1, the observation of which had remained elusive so far in polycrystalline CrSi₂. Measurements of the refractive index and dielectric constants of amorphous thin films show a very high refractive index in the mid-IR range. Our results illustrate how the controlled growth of nano-crystallites can be used to tailor the electronic, vibrational and optical properties of amorphous thin films.

Carbon-based dots have been attracting much attention as potentially superior alternatives to more conventional semiconductor (e.g. cadmium-based) nanoparticles, due to their fascinating optical properties, chemical and photochemical stability, a unique environment-friendliness, and the versatility of fabrication routes. So far, different commercial materials and organic compounds were considered as carbon precursors for the syntheses but in many cases there are issues with their homogeneity or the fabrication that may require high-temperature conditions. We report on a simple low-cost procedure to produce hydrophilic and hydrophobic fractions of non-conjugated carbon-rich polymer dots (PDs) with the average diameter of 2-4 nm (hydrophilic PDs) and ca. 6 nm (hydrophobic PDs), involving acetone as carbon precursor. The as-obtained PDs reveal the greenish-blue photoluminescence (PL) that is characterized by high PL quantum yields (∼5-7%) and complex kinetics of the PL decays with the average lifetimes estimated to be 3.5 ns. Such luminescent acetone-based PDs may have potential in several application fields, including sensing and bioimaging.

We report a combined experimental and theoretical lattice dynamics study of the Ruddlesden–Popper layered compound Sr₂TiO₄. From inelastic neutron scattering experiments, we derive the generalized phonon density of states of Sr₂TiO₄. We also report its heat capacity, thermal expansion, and thermodynamic Grüneisen parameters using the calculated bulk modulus and find a large value of about 2. Using Raman scattering experiments under pressure, we discuss a potential structural distortion of the tetragonal structure above 11 GPa, which could be due to nonhydrostatic compression. The mode Grüneisen parameters of the four Raman-active modes are determined and shown to be in reasonable agreement with those obtained by density functional perturbation theory (DFPT) calculations. The temperature behavior of the Raman-active modes was studied, allowing us to determine the implicit volume and explicit anharmonic contributions. Above 400 K, the implicit volume contribution dominates the temperature-induced variation of the four Raman-active modes, whereas, below this temperature, the explicit anharmonic contribution is the dominant contributor to the highest energy mode. Our results underline the importance of anharmonicity in vibration-related properties of Sr₂TiO₄.

The components of the frequency-dependent complex refractive index were determined indirectly for the new non-centrosymmetric α-GeO2 crystal using polarized Fourier transform infrared reflectivity spectra measured in the far- and mid-infrared spectral region at room temperature. All the longitudinal- and transverse-optical infrared active modes with E and A2 symmetry, according to the D3 point group, were identified and localized within the 100-1000 cm-1 range in very good agreement with a previous first-principles based calculation. For the A2- and E-type modes, both the longitudinal- and transverse-optical splitting were detected. The refractive indices no ( E⊥c) and ne (E //c) in the infrared domain present considerably higher values than the ones observed in the visible light range, and the high birefringence would find application in many optical devices.