Correlated Electrons Step-by-Step: Itinerant-to-Localized Transition of Fe Impurities in Free-Electron Metal Hosts

Abstract

High-resolution photoemission spectroscopy and realistic ab-initio calculations have been employed to analyze the onset and progression of d-sp hybridization in Fe impurities deposited on alkali metal films. The interplay between delocalization, mediated by the free-electron environment, and Coulomb interaction among d-electrons gives rise to complex electronic configurations. The multiplet structure of a single Fe atom evolves and gradually dissolves into a quasiparticle peak near the Fermi level with increasing the host electron density. The effective multi-orbital impurity problem within the exact diagonalization scheme describes the whole range of hybridizations.

10 pages, 4 figures

References in corpus (3)

• Half-metallic ferromagnets: From band structure to many-body effects
• Localized Magnetic States of Fe, Co, and Ni Impurities on Alkali Metal Films
• Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)

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