Journal Article

FZJ-2014-04803

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation

Schweflinghaus, B. (Corresponding Author)FZJ* ; dos Santos Dias, M.FZJ* ; Costa, A. T.Extern* ; Lounis, S.FZJ*

2014
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/7925  doi:10.1103/PhysRevB.89.235439

Abstract: Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy. We present a first-principles method for the calculation of inelastic tunneling spectra utilizing the Korringa-Kohn-Rostoker Green function method combined with time-dependent density functional theory and many-body perturbation theory. The key quantity is the electron self-energy describing the coupling of the electrons to the spin excitation within the adsorbate. By investigating Cr, Mn, Fe, and Co adatoms on a Cu(111) substrate, we spin-characterize the spectra and demonstrate that their shapes are altered by the magnetization of the adatoms, of the tip and the orbital decay into vacuum. Our method also predicts spectral features more complex than the steps obtained by simpler models for the adsorbate (e.g., localized spin models)

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)

Research Program(s):

1. 422 - Spin-based and quantum information (POF2-422) (POF2-422)

Appears in the scientific report 2014

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Database coverage:
; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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