Electron elastic scattering off a semifilled-shell atom: The Mn atom

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The impact of both exchange interaction and electron correlation, as well as their combined impact, on electron elastic scattering off a semifilled-shell Mn(3d54s2, 6S) atom are theoretically studied in the electron energy range of ε=0-25 eV. Corresponding elastic-scattering phase shifts δℓ(ε) as well as partial σ ℓ(ε) and total σ(ε) cross sections are found to be subject to a strong correlation impact. The latter is shown to drastically differ for oppositely spin-polarized scattered electrons in some cases, thereby bringing significant differences in corresponding δℓ(ε )s, σℓ(ε)s, and σ(ε)s between these electrons. This is proven to be an inherent feature of electron scattering off a semifilled-shell atom in general. Electron correlation is accounted for in the framework of the self-energy part Σ of the Green function of a scattered electron concept. The latter is calculated both in the second-order perturbation theory in the Coulomb interelectron interaction as well as beyond it by solving the Dyson equation for Σ. The significance of the "Dyson" correlation corrections in e-+Mn scattering is unraveled. They are shown to noticeably increase the inherent differences between elastic-scattering phase shifts and cross sections of spin-up (↑) and spin-down (↓) polarized electrons scattered off a spin-polarized Mn atom, in some cases. In particular, the existence of a narrow resonant maximum in σ ↓(ε) near ε≈8 eV but the absence of such in σ↑(ε) in e-+Mn scattering is predicted. © 2013 American Physical Society.

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Physical Review A - Atomic, Molecular, and Optical Physics

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