Related papers: Simple and Onion-type Fullerenes shells as resonat…
Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after…
Photoionization cross sections, photoelectron angular-asymmetry parameters and photoionization time delays for $A$@C$_{60}$ endohedral atoms are studied with account for both the individual and combined effects of dipole static polarization…
A description of neutral and multiply charged fullerenes is proposed based on a stabilized jellium (structureless pseudopotential) approximation for the ionic background and the local density approximation for the sigma and pi valence…
We demonstrate rather interesting manifestations of co-existence of resonance features in characteristics of the photoionization of 3d-electrons in Xe@C60. It is shown that the reflection of photoelectrons produced by the 3d Xe…
Correctness of the model representing the fullerene shell C60 as a conducting sphere has been analyzed. The static and dynamical polarizabilities of the molecule C60 have been calculated on the basis of experimental data on the…
We analyze using Poisson equation the spatial distributions of the positive charge of carbon atomic nuclei shell and negative charge of electron clouds forming the electrostatic potential of the C60 fullerene shell as a whole. We consider…
We study the double electronic emission by photon impact from He in the center of a spherical fullerene, which is modeled by a square-well shell. This system exhibits a manifold of avoided crossings as a function of the well depth, and…
We review the recent theoretical treatment of fullerenes as pi-conjugated systems. Polaronic properties due to the Jahn-Teller type effects are mainly discussed. (1) A Su-Schrieffer-Heeger type electron-phonon model is applied to…
We have studied the role of virtual excitations of inner shells upon outer shell photoionization. The calculations were performed in the frames of the Random Phase Approximation and its generalized version GRPAE that take into account…
Trends in resonances, termed confinement resonances, in photoionization of atoms A in endohedral fullerene anions A@C60^{z-} are theoretically studied and exemplified by the photoionization of Ne in Ne@C{60}^{z-}. Remarkably, above a…
Intense X-ray photo-absorption from short and intense pulses by a molecule triggers complicated electron and subsequently ion dynamics leading to photo-electron spectra which are difficult to interpret. Illuminating fullerenes offers a way…
The localization of the valence electron of $H$, $Li$ and $Na$ atoms enclosed by three different fullerene molecules is studied. The structure of the fullerene molecules is used to calculate the equilibrium position of the endohedrally atom…
It is demonstrated in this Letter that the effect of the fullerene shell upon atomic Giant resonance decisively depends upon energy of photoelectrons, by which the resonance decay. According to the prediction in [1], the Giant resonance in…
The pi electrons of isolated fullerene anions C60^{n-} (n betwen 1 and 6) are a quite unique finite system of electrons with an attractive interaction due to exchange of intramolecular phonons. This interaction may overwhelm Hund's rule and…
The existence of a system of short-live discrete volume-localized electron quantum levels in positively charged fullerenes is theoretically and numerically demonstrated using the example of fullerenes C60 and C20. Unlike well-studied…
In this study, based on density functional theory (DFT), we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We should call these new nanostructures fullerynes, according to IUPAC. We present four…
The present paper explores possible features of electron elastic scattering off endohedral fullerenes $A$@C$_{60}$. It focuses on how dynamical polarization of the encapsulated atom $A$ by an incident electron might alter scattering off…
The analytical structure and absolute values of the generalized cross-section of the two-photon resonance single ionization of the K-shell of a heavy neon-like ion of an iron atom (Fe$^{16+}$) were theoretically predicted. A pronounced…
The influence of a fullerene molecule trapped inside a single-wall carbon nanotube on resonant electron transport at low temperatures and strong polaronic coupling is theoretically discussed. Strong peak to peak fluctuations and anomalous…
Photoionization of a Xe atom confined inside C$_{60}$ has been studied using the random phase approximation with exchange (RPAE) method. The C$_{60}$ fullerene has been descr ibed by an attractive short range spherical well with potential…