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Register a new userPhotoionization of Endohedrals with account of fullerenes polarization
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We have calculated photoionization cross-section of endohedral atoms A@CN. We took into account the polarizability of the fullerene electron shell CN that modifies the incoming photon beam and the one-electron wave functions of the caged atom A. We employ simplifi
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In this Letter, we investigate the time delay of photoelectrons by fullerenes shell in endohedrals. We present general formulas in the frame of the random phase approximation with exchange (RPAE) applied to endohedrals A@CN that consist of an atom A located inside of a fullerenes shell constructed of N carbon atoms C. We calculate the time delay of electrons that leave the inner atom A in course of A@CN photoionization. Our aim is to clarify the role that is played by CN shell. As concrete examples of A we have considered Ne, Fr, Kr and Xe, and as fullerene we consider C60. The presence of the C60 shell manifests itself in powerful oscillations of the time delay of an electron that is ionized from a given subshell nl by a photon with energy. Calculations are performed for outer, subvalent and d-subshells.
We concentrate here on photon absorption as well as electron and positron scattering upon endohedrals that consist of a fullerenes shell and an inner atom A. The aim is to understand the effect of fullerene electron shell in formation of corresponding cross-section. We consider the problem substituting the action of a complex multiatomic fullerenes shell by a combination of static pseudopotential and dynamic polarization potential. The electron correlations in the atom A are taken into account in the frame of the random phase approximation with exchange (RPAE). We demonstrate that the fullerenes shell strongly affects the cross-sections, bringing in a number of peculiarities, such as confinement resonances and giant-endohedral resonances and partial wave Ramsauer-type minima. Numerical data are obtained for endohedrals A@C60 and A@C60@C240, where A are noble gas atoms He, Ar and Xe.
We demonstrate that the angular distribution of photoelectrons from a strongly polarizable target exposed to a laser field can deviate noticeably from the prediction of conventional theory. Even within the dipole-photon approximation the profile of distribution is modified due to the action of the field of alternating dipole moment induced at the residue by the laser field. This effect, being quite sensitive to the dynamic polarizability of the residue and to its geometry, depends also on the intensity and frequency of the laser field. Numerical results, presented for sodium cluster anions, demonstrate that dramatic changes to the profile occur for the photon energies in vicinities of the plasmon resonances, where the effect is enhanced due to the increase in the residue polarizability. Strong modifications of the characteristics of a single-photon ionization process can be achieved by applying laser fields of comparatively low intensities $I_0 sim10^{10}-10^{11}$ W/cm$^2$.
We show, with both experiment and theory, that adsorption of $CO_2$ is sensitive to charge on a capturing model carbonaceous surface. In the experiment we dope superfluid helium droplets with $C_{60}$ and $CO_2$ and expose them to ionising free electrons. Both positively and negatively charged $C_{60}(CO_2)_n^{+/-}$ cluster ion distributions are observed with a high-resolution mass spectrometer and these show remarkable and reproducible anomalies in intensities that are strongly dependent on the charge. The highest adsorption capacity is seen with $C_{60}^+$. Complementary density functional theory calculations and molecular dynamics simulations provided insight into the nature of the interaction of charged $C_{60}$ with $CO_2$ as well as trends in the packing of $C_{60}^+$ and $C_{60}^-$. The quadrupole moment of $CO_2$ itself was seen to be decisive in determining the charge dependence of the observed adsorption features. Our findings are expected to apply to adsorption of $CO_2$ by charged surfaces in general.
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 an electron transfers from C60 to the halogen. It was further found as a rule that the ionization dynamics is insensitive to the C60 level the electron originates from to produce X-@C60+. In the current study, we report an exception to this rule in F@C60. It is found that when the electron vacancy is situated in the C60 level that participates in the hybridization in F-@C60+, the mixing becomes dramatically large leading to strong modifications in the photoionization of the hybrid levels. But when the vacancy is at any other pure level of C60, the level-invariance is retained showing weak hybridization. Even though this case of F@C60 is an anomaly in the halogen@C60 series, the phenomenon can be more general and can occur with compounds of other atoms caged in a variety of fullerenes. In addition, possible experimental studies are suggested to benchmark the present results.
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