Spin polarization of light atoms in jellium: Detailed electronic structures

Abstract

We revisit the problem of the spontaneous magnetization of an {\em sp} impurity atom in a simple metal host. The main features of interest are: (i) Formation of the spherical spin density/charge density wave around the impurity; (ii) Considerable decrease in the size of the pseudoatom in the spin-polarized state as compared with the paramagnetic one, and (iii) Relevance of the electron affinity of the isolated atom to this spin polarization, which is clarified by tracing the transformation of the pseudoatom into an isolated negative ion in the low-density limit of the enveloping electron gas.