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We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each…

Materials Science · Physics 2009-11-11 B. Lazarovits , L. Szunyogh , P. Weinberger

The state of the art ab initio calculations of quantum mirages,the spin-polarization of surface-state electrons and the exchange interaction between magnetic adatoms in Cu and Co corrals on Cu(111) are presented. We find that the…

Materials Science · Physics 2009-11-11 V. S. Stepanyuk , L. Niebergall , W. Hergert , P. Bruno

Substrate strain mediated adatom configurations on Cu<111> surfaces have been simulated in a coverage range up to nearly 1 monolayer. Interacting adatoms occupy positions on a triangular lattice in two dimensions. The elastic interaction is…

Materials Science · Physics 2013-01-30 Wolfgang Kappus

Low-temperature scanning tunneling spectroscopy of magnetic and non-magnetic metal atoms on Ag(111) and on Cu(111) surfaces reveals the existence of a common electronic resonance at an energy below the binding energies of the surface…

Strongly Correlated Electrons · Physics 2009-11-10 L. Limot , E. Pehlke , J. Kroeger , R. Berndt

Both quantum and classical behavior of single atomic spins on surfaces is determined by the local anisotropy of adatoms and their coupling to the immediate electronic environment. Yet adatoms seldom reside on surfaces alone and it is…

Materials Science · Physics 2015-11-04 P. Ruiz-Díaz , O. V. Stepanyuk , V. S. Stepanyuk

We present first principles calculations of the exchange interactions between magnetic impurities deposited on (001), (110) and (111) surfaces of Cu and Au and analyze them, in particular, in the asymptotic regime. For the (110) and the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 E. Simon , B. Ujfalussy , B. Lazarovits , A. Szilva , L. Szunyogh , G. M. Stocks

When surface state electrons scatter at perturbations, such as magnetic or nonmagnetic adatoms or clusters on surfaces, an electronic resonance, localized at the adatom site, can develop below the bottom of the surface state band for both…

Materials Science · Physics 2015-06-25 Samir Lounis , Phivos Mavropoulos , Peter H. Dederichs , Stefan Blügel

The Kondo zero bias anomaly of Co adatoms probed by scanning tunneling microscopy is known to depend on the height of the tip above the surface, and this dependence is different on different low index Cu surfaces. On the (100) surface, the…

Strongly Correlated Electrons · Physics 2019-07-24 P. P. Baruselli , R. Requist , A. Smogunov , M. Fabrizio , E. Tosatti

When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a…

Materials Science · Physics 2007-05-23 Kristen A. Fichthorn , Matthias Scheffler

Electronic correlations together with dimensional constraints lead to some of the most fascinating properties known in condensed matter physics. As possible candidates where these conditions are realized, semiconductor (111) surfaces and…

Strongly Correlated Electrons · Physics 2013-10-09 Philipp Hansmann , Loig Vaugier , Hong Jiang , Silke Biermann

The Kondo temperature $T_K$ of single Co adatoms on monolayers of Ag on Cu and Au(111) is determined using Scanning Tunneling Spectroscopy. $T_K$ of Co on a single monolayer of Ag on either substrate is essentially the same as that of Co on…

Strongly Correlated Electrons · Physics 2009-11-10 M. A. Schneider , P. Wahl , L. Diekhöner , L. Vitali , G. Wittich , K. Kern

A nearly-free-electron (NFE) model to describe STM spectroscopy of (111) metal surfaces with Kondo impurities is presented. Surface states are found to play an important role giving a larger contribution to the conductance in the case of…

Strongly Correlated Electrons · Physics 2009-11-10 J. Merino , O. Gunnarsson

Using a combination of scanning tunneling spectroscopy and atomic lateral manipulation, we obtained a systematic variation of the Kondo temperature ($T_\mathrm K$) of Co atoms on Ag(111) as a function of the surface state contribution to…

Strongly Correlated Electrons · Physics 2018-07-06 M. Moro-Lagares , J. Fernández , P. Roura-Bas , M. R. Ibarra , A. A. Aligia , D. Serrate

Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of…

Strongly Correlated Electrons · Physics 2015-06-12 Philipp Hansmann , Thomas Ayral , Loig Vaugier , Philipp Werner , Silke Biermann

We calculate the conductance spectra of a Co atom adsorbed on Cu(111), considering the Co $3d$ orbitals within a correlated multiple configurations model interacting through the substrate band with the Co $4s$ orbital, which is treated in a…

Mesoscale and Nanoscale Physics · Physics 2021-09-17 Marcos S. Tacca , Timo Jacob , Edith C. Goldberg

We have used spin-polarized scanning tunneling spectroscopy to observe the spin-polarization state of individual Fe and Cr atoms adsorbed onto Co nanoislands. Both of these magnetic adatoms exhibit stationary out-of-plane spin-polarization…

Materials Science · Physics 2009-11-13 Y. Yayon , V. W. Brar , L. Senapati , S. C. Erwin , M. F. Crommie

Since metallic surface states on (111) noble metals are free-electron like, their propagators can be evaluated analytically. Since they are well-screened, one can use simple tight-binding formalism to study their effects. The needed phase…

Materials Science · Physics 2009-11-10 Per Hyldgaard , T. L. Einstein

We present a theory of electron-mediated interaction between adatoms in graphene. In the case of resonant scattering, relevant for hydrogentated graphene, a long-range 1/r interaction is found. This interaction can be viewed as a fermionic…

Mesoscale and Nanoscale Physics · Physics 2009-07-02 Andrei Shytov , Dmitry Abanin , Leonid Levitov

We present a first-principles study of the surface magnetism induced by Cr, Mn, Fe and Co adatoms on the (111) surfaces of Rh, Pd, Ag, Ir, Pt and Au. We first describe how the different contributions to the surface magnetism enter the…

Mesoscale and Nanoscale Physics · Physics 2020-02-19 Sascha Brinker , Manuel dos Santos Dias , Samir Lounis

Lack of inversion symmetry at a metallic surface can lead to an observable spin-orbit interaction. For certain metal surfaces, such as the Au(111) surface, the experimentally observed spin-orbit coupling results in spin rotation lengths on…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Jamie D. Walls , Eric J. Heller
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