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Physica Scripta

Extrapolated model potential for low-energy scattering of electrons from inert gas atoms, and Be, Mg, Zn, Cd, Hg

S. H. Patil

Published Nov 1, 1996• 2 citations
Publisher

Abstract

We have developed a model, l -dependent potential to describe the interaction of an electron with inert gas atoms, and Be, Mg, Zn, Cd, Hg, and their isoelectronic sequences. This potential is adjusted so as to produce bound states with experimental binding energies in isoelectronic sequences of Li I, Na I, K I, Rb I, Cs I and B I, Al I, Ga I, In I, Tl I, and extrapolated to get a potential for the interaction of an electron with inert gas atoms, and with Be, Mg, Zn, Cd, Hg. It provides reliable phase shifts and cross sections for e-inert gas atom, e-Be, e-Mg, e-Zn, e-Cd, e-Hg scattering. Particularly interesting are the signs of the scattering lengths, the changes in the signs of the s-wave phase shifts, and p-wave shape resonances at low energies.

DOI
10.1088/0031-8949/54/5/007

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We have developed a model, l -dependent potential to describe the interaction of an electron with inert gas atoms, and Be, Mg, Zn, Cd, Hg, and their isoelectronic sequences. This potential is adjusted so as to produce bound states with experimental binding energies in isoelectronic sequences of Li I, Na I, K I, Rb I, Cs I and B I, Al I, Ga I, In I, Tl I, and extrapolated to get a potential for the interaction of an electron with inert gas atoms, and with Be, Mg, Zn, Cd, Hg. It provides reliable phase shifts and cross sections for e-inert gas atom, e-Be, e-Mg, e-Zn, e-Cd, e-Hg scattering. Particularly interesting are the signs of the scattering lengths, the changes in the signs of the s-wave phase shifts, and p-wave shape resonances at low energies.
A simple potential is proposed to describe low-energy s-wave scattering of electrons from closed-shell atoms. It has the correct structure at large and small distances from the nucleus and depends on the target polarizability and a dimensionless parameter. This dimensionless parameter is determined by extrapolation from the potential for the bound states in isoelectronic sequences. Apart from providing a satisfactory description of low-energy scattering of electrons from inert-gas atoms, the potential predicts a negative scattering length for electron scattering from Be, Mg, Zn, Cd, Hg, and zeros in the s-wave phase shin at a momentum k in the range 0.05-0.10 au.
Annihilations, phase shifts, scattering lengths and elastic cross sections of low energy positrons scattering from magnesium atoms were studied using the least-squares variational method (LSVM). The possibility of positron binding to the magnesium atoms is investigated. A trial wave function is suggested to represent e+-Mg elastic scattering and scattering parameters were derived to estimate the binding energy and annihilation rates. The trial function is taken to depend on several adjustable parameters, and is improved iteratively by increasing the number of terms. The present results have the same behavior as reported semi-empirical, theoretical and experimental results. Especially, the estimated positive scattering length supports the possibility of positronmagnesium bound state system that was confirmed in previous experimental and theoretical work.
The configuration-interaction method is applied to the study of positronic zinc (e+Zn){(e}^{+}\mathrm{Zn})(e+Zn) and positronic cadmium (e+Cd).{(e}^{+}\mathrm{Cd}).(e+Cd). The estimated binding energies and annihilation rates were 0.003 73 hartree and $0.42\ifmmode\times\else\texttimes\fi{}{10}^{9} {\mathrm{sec}}^{\ensuremath{-}1}$ for e+Zn{e}^{+}\mathrm{Zn}e+Zn and 0.006 10 hartree and $0.56\ifmmode\times\else\texttimes\fi{}{10}^{9} {\mathrm{sec}}^{\ensuremath{-}1}$ for e+Cd.{e}^{+}\mathrm{Cd}.e+Cd. The low-energy elastic cross section and Zeff{Z}_{\mathrm{eff}}Zeff​ were estimated from a model potential that was tuned to the binding energies and annihilation rates. Since the scattering lengths were positive (14.5a0{(14.5a}_{0}(14.5a0​ for Zn and 11.6a0{11.6a}_{0}11.6a0​ for Cd) the differential cross sections are larger at backward angles than at forward angles just above threshold. The possibilities of measuring differential cross sections to confirm positron binding to these atoms is discussed.
Four different spin-dependent scattering cross sections are calculated by semiclassical and by partial-wave analyses for each of the five alkali atoms, Li, Na, K, Rb, and Cs, for 124 different relative kinetic energies. These cross sections are finally averaged thermally. The results agree very well with experiments.In the calculation, the interaction potential between two alkali atoms is calculated by individually considering the interaction due to the two valence sss electrons and to the closed electronic shells of the two atoms. The two-sss-electron interaction is generated ad hoc phenomenologically from the known hydrogen-hydrogen interatomic potential and the closed-shell interaction from interatomic potentials of two inert atoms corresponding to the cores. The potentials so obtained are in agreement with those constructed from band spectra.
Projectile-elastic, target-elastic, and full close-coupling approximation models have been employed to investigate scattering of ortho-positronium off Li and Na atoms at low energies. Nine different basis sets for each system have been used to find the relative importance of atomic (target and projectile) states on the elastic scattering parameters and the convergence of the predicted results with added eigen- and pseudostates. The sss-wave elastic phase shifts, scattering lengths and cross sections of both the systems are reported upto the incident energy k=0.5a.u.k=0.5\phantom{\rule{0.3em}{0ex}}\text{a.u.}k=0.5a.u. and compared with the corresponding existing theoretical predictions. It has been found that the van der Waals and higher order long-range interactions play a crucial role in predicting sss-wave elastic parameters for Ps--alkali-metal-atom systems at low energies.
The relativistic correlation-potential method was used to calculate binding energies and fine-structure intervals for Pd, Ba, and Yb negative ions and to investigate low-energy electron scattering by Yb, Hg, and Ra atoms. The results for the binding energies are the following: 540 meV for the 5s state of ${\mathrm{Pd}}^{\mathrm{\ensuremath{-}}}$, 190 and 133 meV for the 6p1/2{\mathit{p}}_{1/2}p1/2​ and 6p3/2{\mathit{p}}_{3/2}p3/2​ states of ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and 36 meV for the 6p1/2{\mathit{p}}_{1/2}p1/2​ state of the ${\mathrm{Yb}}^{\mathrm{\ensuremath{-}}}$. A number of prominent p and d resonances are revealed in the scattering phase-shift calculations. These p or d resonances lead to a phenomenon of 100% polarization of the scattered electron beam at appropriate electron energy and scattering angle. A criterion is proposed to measure the strength of the nonlocal correlation potential and to evaluate its ability to create a bound state: FG(r',r)\ensuremath{\Sigma}(r,r')dr dr'>1 is the necessary condition for the formation of a bound state. Here \ensuremath{\Sigma} is the correlation potential and G is the electron Green's function at zero energy.