arXiv subjects

A. S. Baltenkov

Publications and source records attributed to A. S. Baltenkov.

At least 37 records · Page 2Linked to original sources

arXiv2018

Time Delay in Electron-C60 Elastic Scattering in a Dirac Bubble Potential Model

Within the framework of a Dirac bubble potential model for the C60 fullerene shell, we calculated the time delay in slow-electron elastic scattering by C60. It appeared that the time of transmission of an electron wave packet through the Dirac bubble potential sphere that simulates a real potential of the C60 cage exceeds by more than an order of magnitude the transmission time via a single atomic core. Resonances in the time delays are due to the temporary trapping of electron into quasi-bound states before it leaves the interaction region.

physics.atm-clus↗

arXiv2016

Electronic Quantum Confinement in Cylindrical Potential Well

The effects of quantum confinement on the momentum distribution of electrons confined within a cylindrical potential well have been analyzed. The motivation is to understand specific features of the momentum distribution of electrons when the electron behavior is completely controlled by the parameters of a non-isotropic potential cavity. It is shown that studying the solutions of the wave equation for an electron confined in a cylindrical potential well offers the possibility to analyze the confinement behavior of an electron executing one- or two-dimensional motion in the three-dimensional space within the framework of the same mathematical model. Some low-lying electronic states with different symmetries have been considered and the corresponding wave functions have been calculated; the behavior of their nodes and their peak positions with respect to the parameters of the cylindrical well has been analyzed. Additionally, the momentum distributions of electrons in these states have been calculated. The limiting cases of the ratio of the cylinder length H and its radius R0 have been considered; when the cylinder length H significantly exceeds its radius R0 and when the cylinder radius is much greater than its length. The cylindrical quantum confinement effects on the momentum distribution of electrons in these potential wells have been analyzed. The possible application of the results obtained here for the description of the general features in the behavior of electrons in nanowires with metallic type of conductivity (or nanotubes) and ultrathin epitaxial films (or graphene sheets) are discussed. Possible experiments are suggested where the quantum confinement can be manifested.

physics.atom-ph↗

arXiv2016

Doubly-charged Negative Ion of C60 Molecule

Within the Dirac- and Lorentz-bubble potential models an electronic structure of the doubly-charged negative ion has been studied by a variational method. It is shown that even in the first approximation of this method when a trial wave function of the two electrons is represented as a product of one-electron functions the total energy of the system is negative, a manifestation of the existence of a stable state of the doubly-charged negative ion in these models. The second electron affinity of C60 according to estimation is about 1 eV. The photodetachment cross sections of this ion have been calculated as well. Near threshold behavior of cross section is found to exhibit peculiar and interesting behavior. The first cross section accompanied by the transformation of the doubly-charged negative ion into a singly-charged one is exponentially small near the process threshold. The second cross section corresponds to the photodetachment of a singly-charged ion; it increases at the threshold as a power function of the kinetic energy of the photoelectron. These cross sections are of the same order as the photodetachment cross sections of atomic ions with the same electron affinity. AMS (MOS) Subject Classification. 70G75, 81V10, 81V55

physics.atom-ph↗

arXiv2016

Model Potentials for a C60 Shell

The spatial distribution of electric charges forming a square well potential has been analyzed. It is shown that this potential is created by two concentric spheres with a double layer of charges. A C60 shell potential has been calculated under the assumption that it is formed by the averaged charge density of a neutral atom. It is further demonstrated that the phenomenological potentials simulating the C60 shell potential belong to a family of potentials with a non-flat bottom. Two possible types of C60 model potentials are proposed and their parameters have been calculated. AMS (MOS) Subject Classification. 62P35, 81V55

physics.atom-ph↗

arXiv2013

Angular Distribution of Electrons in Photoionization of Atoms Adsorbed on a Graphene Sheet

Within the framework of a model representing the potential of a graphene sheet U(z) as an electro-neutral layer formed by smeared carbon atoms, the effect of this potential on spectral characteristics of atoms adsorbed on a graphene sheet has been studied. Since the distance between the adsorbed atom nucleus and sheet surface significantly exceeds the radii of inner atomic shells the potential U(z) makes influence on the continuum wave functions only. Their behavior in the upper semi-space (z>0) and in the lower one (z<0) where the adsorbed atom is located is defined by a jump of the logarithmic derivative of the wave function for z=0. The photoelectron angular distributions have been calculated for different mutual positions of the polarization vector e and the axis Z normal to the sheet surface. It has been shown that the existence of the electron waves reflected from the potential U(z) leads to evident asymmetry of the angular distribution relative to the plane z=0. The experimental observation of this effect is of great interest for photoelectron spectroscopy of atoms localized on graphene structures.

physics.atom-ph↗

arXiv2010

Huygens-Fresnel principle for molecular continuum wave function

The asymptotic behavior of the molecular continuum wave function has been analyzed within a model of non-overlapping atomic potentials. It has been shown that the representation of the wave function far from a molecule as a plane wave and single spherical wave emitted by the molecular center cannot be corrected. Because of the multicenter character of the problem, the asymptotic form of the wave function according to the Huygens-Fresnel principle must contain N spherical waves with centers at the nuclei of the N atoms that form the molecule. A method of partial waves for a spherically non-symmetrical target is considered for the simplest multicenter target formed by two non-overlapping potentials. The results are compared with those obtained within the single spherical wave approximation. It has been shown that the use of this approximation is intrinsically conflicting, which is a direct consequence of refusal from the Huygens-Fresnel picture of the wave scattering process.

physics.atom-ph↗

arXiv2009

Non-physical consequences of the Muffin-tin-type intra-molecular potential

We demonstrate using a simple model that in the frame of muffin-tin - like potential non-physical peculiarities appear in molecular photoionization cross-sections that are a consequence of jumps in the potential and its first derivative at some radius. The magnitude of non-physical effects is of the same order as the physical oscillations in the cross-section of a two-atomic molecule. The role of the size of these jumps is illustrated by choosing three values of it. The results obtained are connected to the studied previously effect of non-analytical behavior as a function of r the potential V(r)acting upon a particle on its photoionization cross-section. In reality, such potential has to be analytic in magnitude and first derivative function in distance. Introduction of non-analytic features in model potential leads to non-physical features in the corresponding cross-section - oscillations, additional maxima etc.

physics.chem-ph↗

arXiv2008

Distortion and preservation of Giant resonances in Endohedral Atoms A@C60

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 Xe is strongly modified in the endohedral Xe@C60 being transformed from a single broad and powerful maximum in Xe into four quite narrow but with almost the same total oscillator strength. On the contrary, the 4d Giant resonances in ions Ce3+ (the electronic structure that Ce has, when stuffed into fullerene), in Ce4+, and Eu are considered. In none of them the 4d Giant resonance in endohedrals is affected essentially. This is because the decay of the Giant resonances in these endohedrals proceeds by emission of fast photoelectrons that are almost unaffected by the C60 shell. The results obtained give at least qualitative explanation to the fact that recent observation of 4d Giant resonance in Ce@C82+, where the Giant resonance was observed as a maximum without noticeable structure.

physics.atom-ph↗

arXiv2007

Destruction and Resurrection of Atomic Giant resonances in Endohedral Atoms A@C60

It is demonstrated that in photoabsorption by endohedral atoms some atomic Giant resonances are almost completely destroyed while the others are totally preserved due to different action on it of the fullerenes shell. As the first example we discuss the 4d10 Giant resonance in Xe@C60 whereas as the second serves the Giant autoionization resonance in Eu@C60. The qualitative difference comes from the fact that photoelectrons from the 4d Giant resonance has small energies (tens of eV) and are strongly reflected by the C60 fullerenes shell. As to the Eu@C60, Giant autoionization leads to fast photoelectrons (about hundred eV) that go out almost untouched by the C60 shell. As a result of the outgoing electrons energy difference the atomic Giant resonances will be largely destroyed in A@C60 while the Giant autoionization resonance will be almost completely preserved. Thus, on the way from Xe@C60 Giant resonance to Eu@C60 Giant autoionization resonance the oscillation structure should disappear. Similar will be the decrease of oscillations on the way from pure Giant to pure Giant autoionization resonances for the angular anisotropy parameters. At Giant resonance frequencies the role of polarization of the fullerenes shell by the incoming photon beam is inessential. Quite different is the situation for the outer electrons in Eu@C60, the photoionization of which will be also considered.

physics.atm-clus↗

arXiv2007

On photoionization of the subvalent subshells of noble gas endohedral atoms

We demonstrate strong interference patterns in the photoionization cross-section of the subvalent subshells of noble gas (NG) endohedral atoms NG@F. This interference is a result of common action of three factors: the effect of neighboring atomic subshells, reflection of photoelectron waves by the fullerene F shell and resonance modification of the incoming photon beam by the complex effect under the action of the F electrons. We have considered the outer ns-subshells for Ne, Ar, Kr and Xe noble gas atoms. The polarization of the fullerene shell is expressed via the F total photoabsorption cross section. The photoelectron reflection from the static F potential is taken into account in the frame of the so-called bubble potential that is a spherical zero--thickness type potential. It is assumed in the derivations that NG is centrally located in the fullerene. It is assumed also, in accordance with the available experimental data, that the fullerene radius is much bigger than the atomic radius and the thickness of the fullerene shell. These assumptions permit, as demonstrated recently, the NG@F photoionization cross section to be presented as a product of the NG subvalent cross section and two calculated factors that account for polarization of the F electron shell and reflection of photoelectrons by the fullerene static potential.

physics.atm-clus↗

arXiv2007

On the photoionization of the outer electrons in noble gas endohedral atoms

We demonstrate the prominent modification of the outer shell photoionization cross-section in noble gas (NG) endohedral atoms NG@F under the action of the fullerene F electron shell. This shell leads to two important effects, namely to strong enhancement of the cross-section due to fullerenes shell polarization under the action of the incoming electromagnetic wave and to prominent oscillation of this cross-section due to the reflection of the photoelectron from NG by the F shell. All but He noble gas atoms are considered. The polarization of the fullerene shell is expressed via the total photoabsorption cross-section of F. The reflection of the photoelectron is taken into account in the frame of the so-called bubble potential that is a spherical zero --thickness potential. It is assumed in the derivations that NG is centrally located in the fullerene. It is assumed also, in accord with the existing experimental data, that the fullerenes radius R is much bigger than the atomic radius and the thickness of the fullerenes shell . These assumptions permit, as it was demonstrated recently, to present the NG@F photoionization cross-section as a product of the NG cross-section and two well defined calculated factors.

physics.atm-clus↗

arXiv2007

Giant resonances of endohedral atoms

We demonstrate for the first time that the effect of fullerene shell upon photoionization of the "caged" atom in an endohedral can result in formation of Giant Endohedral Resonances or GER. This is illustrated by the concrete case of Xe@C60 photoionization cross-section that exhibits at 17 eV a powerful resonance with total oscillator strengths of about 25. The prominent modification of the 5p6 electron photoionization cross-section of Xe@C60 takes place due to strong fullerene shell polarization under the action of the incoming electromagnetic wave and oscillation of this cross-section due to the reflection of the photoelectron from Xe by the C60. These two factors transform the smoothly decreasing 5p6 cross-section of Xe into a rather complex curve with a powerful maximum for Xe@C60, with the oscillator strength being equal to 25! We present also the results for the dipole angular anisotropy parameter that is strongly affected by the reflection of the photoelectron waves but not modified by C60 polarization. The polarization of C60 is expressed via its total photoabsorption cross-section. The reflection of the photoelectron is taken into account in the frame of the so-called bubble potential that is a spherical delta-type potential.

physics.chem-ph↗

arXiv2007

Photoionization of 3d electrons of Xe, Cs and Ba endohedral atoms: comparative analyses

We demonstrate rather interesting manifestations of co-existence of resonance features in characteristics of the photoionization of 3d-electrons in Xe, Cs and Ba endohedral atoms. It is shown that for all of the considered atoms the reflection by the fullerene shell of photoelectrons produced by the 3d subshell photoionization affects greatly partial photoionization cross-sections of 3d5/2 and 3d3/2 levels and respective angular anisotropy parameters, both dipole and non-dipole adding to all of them additional maximums and minimums. The results obtained demonstrate distinctive differences between the three atoms. The calculations are performed treating the 3/2 and 5/2 electrons as electrons of different kinds with their spins "up" and "down". The effect of C60 shell is accounted for in the frame of the "orange" skin potential model. It is essential that in the considered photon frequency region presented resonance features are not affected by the C60 polarization.

physics.atom-ph↗

arXiv2007

Asymptotic form of molecular continuum wave function for system of non-overlapping atomic potentials

The asymptotic behavior of the molecular continuum wave function has been analyzed within a model of non-overlapping atomic potentials. It is been shown that the representation of the wave function far from a molecule as a plane wave and single spherical wave emitted by the molecular center cannot be corrected. Because of the multicenter character of the problem, the asymptotic form of the wave function must contain N spherical waves with centers at the nuclei of the N atoms that form the molecule. A method of partial waves for a spherically non-symmetrical target is considered for the simplest multicenter target formed by two non-overlapping potentials. The results are compared with those obtained within the single spherical wave approximation. It has been shown that the use of this approximation results in significant mistakes in differential and total cross sections of electron elastic scattering by a target.

physics.atom-ph↗

arXiv2006

Photoionization of Xe 3d electrons in molecule Xe@C60: interplay of intra-doublet and confinement resonances

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 photoionization affects greatly partial photoionization cross-sections of and levels and respective angular anisotropy parameters, both dipole and non-dipole adding to all of them additional maximums and minimums. The calculations are performed treating the 3/2 and 5/2 electrons as electrons of different kinds with their spins "up" and "down". The effect of C60 shell is accounted for in the frame of the "orange" skin potential model.

physics.atom-ph↗

arXiv2006

On the possibility to consider fullerene shell C60 as a conducting sphere

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 photo-absorption cross- section of fullerene. It has been shown that the real C60 in the static electric field behaves most likely as a set of separate carbon atoms rather than as a conducting sphere and its static polarizability exceeds by more than two times that of conducting sphere.

physics.atom-ph↗

arXiv2006

On the vacancy decay in endohedral atoms

It is demonstrated that the fullerene shell affects dramatically the radiative and Auger vacancy decay of an endohedral atom A@C60. The collectivized electrons of the C60 shell add new possibilities for radiative and non-radiative decays similar to that in ordinary atoms where initial and final state vacancies almost always belong to different subshells. It is shown that the smallness of the atomic shell radii as compared to that of the fullerenes shell provides an opportunity to derive the simple formulas for the probabilities of the electron transitions. It is shown that the radiative and Auger (or Koster-Kronig) widths of a vacancy decay due to electron transition in the atom A in A@C60 acquire an additional factors that can be expressed via the polarizability of the C60 at transition energy. It is demonstrated that due to opening of the non-radiative decay channel for vacancies in subvalent subshells the decay probability increases by five -- six orders of magnitude.

physics.atom-ph↗

arXiv2005

On the modification of the photoionization of subvalent subshells in endohedral noble gas atoms

It is demonstrated that outer and inner electron shells, including that formed by collectivized electrons of the fullerene C60, affects dramatically the cross section of the subvalent ns-subshells of the noble gas endohedral atoms A@C60. The calculations are performed within the framework of a very simple, so-called "orange skin", model that makes it possible, in spite of its simplicity, to take into account the modification of the ns-subshell due to its interaction with inner and outer atomic shells, as well as with the collectivized electrons of the C60. As a concrete example, we consider the Xe 5s electrons completely collectivized by the powerful action of the Xe close and remote multi-electron neighboring shells.

physics.atom-ph↗