Related papers: The planar-to-tubular structural transition in bor…
Binary mixtures of water with lower alcohols display non-linear phase behaviour upon mixing which are attributed to potential cluster formation at molecular level. Unravelling such elusive structures requires the investigation of…
The transition from cluster structures to extremely elongated ellipsoidal shapes and nuclear molecules in light $A=12-50$ $(N \sim Z)$ nuclei has been studied within the framework of covariant density functional theory. Nodal structure of…
With close pairs of quasars at different redshifts, a background quasar sightline can be used to study a foreground quasar's environment in absorption. We used a sample of 17 Lyman limit systems with column density N_HI > 10^19 cm^-2…
The theory of the thin vapor layers linear optical properties is presented for the case of specular reflection of atoms colliding with the walls. The effects of light absorption and the shift in the resonance frequency are taken into…
Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…
In this paper, we analyse the optical absorption in porous silicon . This is the first attempt to explicitly demonstrate that it is not possible to extract the band gap of such low dimensional nanostructures like porous silicon from a Tauc…
A very efficient method for the calculation of the effective optical response of nano-structured composite systems allows the design of metamaterials tailored for specific optical polarization properties. We use our method to design 2D…
We propose to achieve a strong bistable response of a thin layer of a saturable absorption medium by involving a planar metamaterial specially designed to bear a high-Q trapped-mode resonance in the infrared region.
Polarization- and wavelength-sensitive absorbers for homogeneous electromagnetic waves are crucial in photovoltaics, imaging and telecommunications. Here, we report on an absorber selective to the topological structure of light. An…
Over the last decade experimental studies have shown a large B isotope fractionation between materials carrying boron incorporated in trigonally and tetrahedrally coordinated sites, but the mechanisms responsible for producing the observed…
A shape phase transition between stable octupole deformation and octupole vibrations in Th nuclei is analyzed in a microscopic framework based on nuclear density functional theory. The relativistic functional DD-PC1 is used to calculate…
The optical absorption spectra of cyclo[n]carbons (n=10, 14, 18) are investigated in the framework of time-dependent density functional theory. The collective plasmon excitations well develop as the increases of the ring size and the…
Systematic ab initio structure prediction was applied for the first time to predict low energy surface reconstructions by employing the minima hopping method on the \alpha-boron (111) surface. Novel reconstruction geometries were identified…
We consider an $\varepsilon$-periodic ($\varepsilon\to 0$) tubular structure, modelled as a magnetic Laplacian on a metric graph, which is periodic along a single axis. We show that the corresponding Hamiltonian admits norm-resolvent…
The ultrafast time-dependence of the energy absorption of covalent solids upon excitation with femtosecond laser pulses is theoretically analyzed. We use a microscopic theory to describe laser induced structural changes and their influence…
The lowest positive- and negative-parity bands of $^{20}$Ne and neutron-rich even-even Ne isotopes are investigated using a theoretical framework based on energy density functionals. Starting from a self-consistent relativistic…
We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crystal shift $\Delta{\cal E}_m$ is mainly caused by dispersion…
The photoabsorption spectra of calcium-doped argon clusters CaAr_n are investigated at thermal equilibrium using a variety of theoretical and numerical tools. The influence of temperature on the absorption spectra is estimated using the…
We develop a direct derivation for the primary contribution to the vibrational polarizability for molecules, clusters and other finite systems. The vibrational polarizability is then calculated within the generalized gradient approximation…
The possibility to use diurnal temperature variations for nondestructive monitoring of growing tubers is investigated by numerically simulating the data collected with a grid of passive thermal sensors placed in the ground and sampled at…