Diffuse versus square-well confining potentials in modelling $A$@C${}_{60}$ atoms

Abstract

Attention: this version-$2$ of the manuscript differs from its previously uploaded version-$1$ (arXiv:1112.6158v1) and subsequently published in 2012 J. Phys. B \textbf{45} 105102 only by a removed typo in Eq.(2) of version-$1$; there was the erroneous factor "2" in both terms in the right-hand-side of the Eq.(2) of version-$1$. Now that the typo is removed, Eq.(2) is correct. A perceived advantage for the replacement of a discontinuous square-well pseudo-potential, which is often used by various researchers as an approximation to the actual C${}_{60}$ cage potential in calculations of endohedral atoms $A$@C${}_{60}$, by a more realistic diffuse potential is explored. The photoionization of endohedral H@C${}_{60}$ and Xe@C${}_{60}$ is chosen as the case study. The diffuse potential is modelled by a combination of two Woods-Saxon potentials. It is demonstrated that photoionization spectra of $A$@C${}_{60}$ atoms are largely insensitive to the degree $\eta$ of diffuseness of the potential borders, in a reasonably broad range of $\eta$'s. Alternatively, these spectra are found to be insensitive to discontinuity of the square-well potential either. Both potentials result in practically identical calculated spectra. New numerical values for the set of square-well parameters, which lead to a better agreement between experimental and theoretical data for $A$@C${}_{60}$ spectra, are recommended for future studies.

11 pages, 4 figures

References in corpus (5)

• Confinement and correlation effects in the Xe@C60 generalized oscillator strengths
• Dynamical Screening of Atom Confined by Finite-Width Fullerene
• Giant resonances of endohedral atoms
• Ground state properties of a confined simple atom by C${}_{60}$ fullerene
• Xe 4d photoionization in Xe@C60, Xe@C240, and Xe@C60@C240

Cited by in corpus (7)

• Electron elastic scattering off $A$@C${}_{60}$: The role of atomic polarization under confinement
• Time-resolved photoemission using attosecond streaking
• Localization of the valence electron of endohedrally confined hydrogen, lithium and sodium in fullerene cages
• The low-energy positron scattering upon endohedrals
• The role of fullerene shell upon stuffed atom polarization potential
• Polarization of the C${}_{60}$ cage by the photoelectron, interior static polarization of C${}_{60}$ by the ion-remainder and atomic-core relaxation in $A$@C${}_{60}$ photoionization
• A simple model potential for hollow nanospheres