Related papers: Simple and Onion-type Fullerenes shells as resonat…
Resonant two-photon ionization in a system consisting of two spatially well-separated atoms is studied. Due to two-center electron-electron correlations, the ionization may also proceed through photo-excitation of both atoms with subsequent…
For a model atom with the $p^3$ valence shell we construct consistent three- and two-active electrons models enabling their direct comparison. Within these models, we study the influence of the third active electron on the double ionization…
We investigate the accuracy of first-principles many-body theories at the nanoscale by comparing the low energy excitations of the carbon fullerenes C_20, C_24, C_50, C_60, C_70, and C_80 with experiment. Properties are calculated via the…
Tight binding molecular dynamics simulations, with a non orthogonal basis set, are performed to study the fragmentation of carbon fullerenes doped with up to six silicon atoms. Both substitutional and adsorbed cases are considered. The…
We predict that conduction electrons in a semiconductor film containing a centered square array of metal nanowires normal to its plane are bound in quantum states around the central wires, if a positive bias voltage is applied between the…
Confinement can have a dramatic effect on the behavior of all sorts of particulate systems and it therefore is an important phenomenon in many different areas of physics and technology. Here, we investigate the role played by the softness…
Van der Waals heterostructures are promising for adding new functionalities to two-dimensional materials. In this study, we focus on single photon emitters hosted in one layer and adjacent to other insulating two-dimensional material.…
We study the important for the experiment features of the effect of the electron shell on alpha decay in the adiabatic approach. The effect is of tenths of a percent or less in magnitude, depending on the transition energy and the atomic…
Photoionization of an atom in the presence of a neighboring atom of different species is studied. The latter first undergoes resonant photoexcitation, leading to an autoionizing state of the diatomic system. Afterwards, the excitation…
We study the photonic interactions between two distant atoms which are coupled by an optical element (a lens or an optical fiber) focussing part of their emitted radiation onto each other. Two regimes are distinguished depending on the…
The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…
It is well known that collective electronic excitations in fullerene C$_{60}$ are manifested as Mie plasmons, and in graphene (the limiting case of an infinitely large fullerene) collective excitations are of plasmon-polariton type. How the…
The shape and absolute values of the generalized cross-sections of the two-photon resonant single ionization of the K-shell of ions of the isonuclear sequence of a heavy nickel atom (28Ni - Ni26+ - Ni24+ - Ni18+) have been theoretically…
The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential application of recently synthesized two dimensional…
Major advances in state-of-the-art theoretical methods coupled with advances in computational architectures have opened the doorway to large-scale computations on elements across the periodic table, allowing the inclusion of fully…
The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Non-bonded interactions are dominated by repulsive forces at short range and attractive dispersion forces at long…
After making a cold weld by pressing two clean metal surfaces together, upon gradually separating the two pieces a metallic nanowire is formed, which progressively thins down to a single atom before contact is lost. In previous experiments…
We examine effects of encapsulated metal atoms inside a C$_{60}$ molecule on the activation energy barrier to the Stone-Wales transformation using {\it ab initio} calculations. The encapsulated metal atoms we study are K, Ca and La which…
We study the photoionization properties of the C_60 versus C_240 molecule in a spherical jellium frame of density functional method. Two different approximations to the exchange-correlation (xc) functional are used: (i) The…
The photoluminescence (PL) spectrum of a two-dimensional electron gas (2DEG) in the fractional quantum Hall regime is studied as a function of the separation $d$ between the electron and valence hole layers. The abrupt change in the…