This title appears in the Scientific Report :
2014
Please use the identifier:
http://hdl.handle.net/2128/7925 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.89.235439 in citations.
Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation
Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation
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 f...
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Personal Name(s): | Schweflinghaus, Benedikt (Corresponding Author) |
---|---|
dos Santos Dias, Manuel / Costa, Antonio T. / Lounis, Samir | |
Contributing Institute: |
Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 89 89 (2014 2014) 23 23, S. 235439 235439 |
Imprint: |
College Park, Md.
APS
2014
|
DOI: |
10.1103/PhysRevB.89.235439 |
Document Type: |
Journal Article |
Research Program: |
Spin-based and quantum information |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.89.235439 in citations.
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) |