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024 7 _ |a 10.1103/PhysRevB.89.235439
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024 7 _ |a 0163-1829
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024 7 _ |a 1095-3795
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024 7 _ |a 1550-235X
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024 7 _ |a 0556-2805
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024 7 _ |a 1098-0121
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024 7 _ |a 2128/7925
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037 _ _ |a FZJ-2014-04803
082 _ _ |a 530
100 1 _ |a Schweflinghaus, Benedikt
|0 P:(DE-Juel1)141736
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245 _ _ |a Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation
260 _ _ |a College Park, Md.
|c 2014
|b APS
336 7 _ |a Journal Article
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520 _ _ |a 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)
536 _ _ |a 422 - Spin-based and quantum information (POF2-422)
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542 _ _ |i 2014-06-30
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|u http://link.aps.org/licenses/aps-default-license
588 _ _ |a Dataset connected to CrossRef, juser.fz-juelich.de
700 1 _ |a dos Santos Dias, Manuel
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700 1 _ |a Costa, Antonio T.
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700 1 _ |a Lounis, Samir
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773 1 8 |a 10.1103/physrevb.89.235439
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|t Physical Review B
|v 89
|y 2014
|x 1098-0121
773 _ _ |a 10.1103/PhysRevB.89.235439
|g Vol. 89, no. 23, p. 235439
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|t Physical review / B
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856 4 _ |u https://juser.fz-juelich.de/record/155845/files/FZJ-2014-04803.pdf
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913 2 _ |a DE-HGF
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|l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)
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|v Controlling Spin-Based Phenomena
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914 1 _ |y 2014
915 _ _ |a American Physical Society Transfer of Copyright Agreement
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915 _ _ |a JCR/ISI refereed
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