Benedikt Schweflinghaus

Role of Dzyaloshinskii-Moriya interaction for magnetism in transition-metal chains at Pt step-edges

We explore the emergence of chiral magnetism in one-dimensional monatomic Mn, Fe, and Co chains deposited at the Pt(664) step-edge carrying out an ab-initio study based on density functional theory (DFT). The results are analyzed employing several models: (i) a micromagnetic model, which takes into account the Dzyaloshinskii-Moriya interaction (DMI) besides the spin stiffness and the magnetic anisotropy energy, and (ii) the Fert-Levy model of the DMI for diluted magnetic impurities in metals. Due to the step-edge geometry, the direction of the Dzyaloshinskii vector (D-vector) is not predetermined by symmetry and points in an off-symmetry direction. For the Mn chain we predict a long-period cycloidal spin-spiral ground state of unique rotational sense on top of an otherwise atomic-scale antiferromagnetic phase. The spins rotate in a plane that is tilted relative to the Pt surface by

Transverse dynamical magnetic susceptibilities from regular static density functional theory: Evaluation of damping and g shifts of spin excitations

62^\circ

Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation

towards the upper step of the surface. The Fe and Co chains show a ferromagnetic ground state since the DMI is too weak to overcome their respective magnetic anisotropy barriers. Beyond the discussion of the monatomic chains we provide general expressions relating ab-initio results to realistic model parameters that occur in a spin-lattice or in a micromagnetic model. We prove that a planar homogeneous spiral of classical spins with a given wave vector rotating in a plane whose normal is parallel to the D-vector is an exact stationary state solution of a spin-lattice model for a periodic solid that includes Heisenberg exchange and DMI. The validity of the Fert-Levy model for the evaluation of micromagnetic DMI parameters and for the analysis of ab-initio calculations is explored for chains. The results suggest that some care has to be taken when applying the model to infinite periodic one-dimensional systems.

Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)

The dynamical transverse magnetic Kohn-Sham susceptibility calculated within time-dependent density functional theory shows a fairly linear behavior for a finite energy window. This observation is used to propose a scheme where the computation of this quantity is greatly simplified. Regular simulations based on static density functional theory can be used to extract the dynamical behavior of the magnetic response function. Besides the ability to calculate elegantly damping of magnetic excitations due to electron-hole excitations, we derive along the way useful equations giving the main characteristics of these excitations: effective

Tuning Paramagnetic Spin Excitations of Single Adatoms

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Theoretical probing of inelastic spin-excitations in adatoms on surfaces

factors and the resonance frequencies that can be accessed experimentally using inelastic scanning tunneling spectroscopy or spin-polarized electron energy loss spectroscopy.

Observing spin excitations in 3 d transition-metal adatoms on Pt(111) with inelastic scanning tunneling spectroscopy: A first-principles perspective

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).

Elliptical spin excitations by engineering the magnetic interactions of Fe adatoms and dimers on Cu(111)

We investigate the dynamics of Fe adatoms and dimers deposited on the Cu(111) metallic surface in the presence of spin-orbit coupling, within time-dependent density functional theory. The \textit{ab initio} results provide material-dependent parameters that can be used in semiclassical approaches, which are used for insightful interpretations of the excitation modes. By manipulating the surroundings of the magnetic elements, we show that elliptical precessional motion may be induced through the modification of the magnetic anisotropy energy. We also demonstrate how different kinds of spin precession are realized, considering the symmetry of the magnetic anisotropy energy, the ferro- or antiferromagnetic nature of the exchange coupling between the impurities, and the strength of the magnetic damping. In particular, the normal modes of a dimer depend on the initial magnetic configuration, changing drastically by going from a ferromagnetic metastable state to the antiferromagnetic ground state. By taking into account the effect of the damping into their resonant frequencies, we reveal that an important contribution arises for strongly biaxial systems and specially for the antiferromagnetic dimers with large exchange couplings. Counter intuitively, our results indicate that the magnetic damping influences the quantum fluctuations by decreasing the zero-point energy of the system.

Topical Insights into Nanoscience using Scanning Probes

We predict the existence of paramagnetic spin excitations (PSE) in nonmagnetic single adatoms. Our calculations demonstrate that PSE develop a well-defined structure in the meV region when the adatoms Stoner criterion for magnetism is close to the critical point. We further reveal a subtle tunability and enhancement of PSE by external magnetic fields. Finally, we show how PSE can be detected as moving steps in the dI/dV signal of inelastic scanning tunneling spectroscopy, opening a potential route for experimentally accessing electronic properties of nonmagnetic adatoms, such as the Stoner parameter.