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000155845 0247_ $$2ISSN$$a1550-235X
000155845 0247_ $$2ISSN$$a0556-2805
000155845 0247_ $$2ISSN$$a1098-0121
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000155845 1001_ $$0P:(DE-Juel1)141736$$aSchweflinghaus, Benedikt$$b0$$eCorresponding Author$$ufzj
000155845 245__ $$aRenormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation
000155845 260__ $$aCollege Park, Md.$$bAPS$$c2014
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000155845 520__ $$aAccess 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)
000155845 536__ $$0G:(DE-HGF)POF2-422$$a422 - Spin-based and quantum information (POF2-422)$$cPOF2-422$$fPOF II$$x0
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000155845 7001_ $$0P:(DE-Juel1)145395$$ados Santos Dias, Manuel$$b1$$ufzj
000155845 7001_ $$0P:(DE-HGF)0$$aCosta, Antonio T.$$b2
000155845 7001_ $$0P:(DE-Juel1)130805$$aLounis, Samir$$b3$$ufzj
000155845 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.89.235439$$bAmerican Physical Society (APS)$$d2014-06-30$$n23$$p235439$$tPhysical Review B$$v89$$x1098-0121$$y2014
000155845 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.89.235439$$gVol. 89, no. 23, p. 235439$$n23$$p235439$$tPhysical review / B$$v89$$x1098-0121$$y2014
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000155845 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130805$$aForschungszentrum Jülich GmbH$$b3$$kFZJ
000155845 9132_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$aDE-HGF$$bForschungsbereich Energie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
000155845 9131_ $$0G:(DE-HGF)POF2-422$$1G:(DE-HGF)POF2-420$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lGrundlagen zukünftiger Informationstechnologien$$vSpin-based and quantum information$$x0
000155845 9141_ $$y2014
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000155845 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/RevModPhys.76.323
000155845 999C5 $$1T. Moriya$$2Crossref$$9-- missing cx lookup --$$a10.1007/978-3-642-82499-9$$y1985
000155845 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.101.057003
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