Theory of real space imaging of Fermi surfaces

A scanning tunneling microscope can be used to visualize in real space Fermi surfaces with buried impurities far below substrates acting as local probes. A theory describing this feature is developed based on the stationary phase approximation. It is demonstrated how a Fermi surface of a material acts as a mirror focusing electrons that scatter at hidden impurities.Comment: 10 pages, 4 figure

Tuning paramagnetic spin-excitations of single adatoms

Around 50 years ago, Doniach [Proc. Phys. Soc. 91, 86 (1967)] predicted the existence of paramagnons in nearly ferromagnetic materials, recently measured in bulk Pd [Phys. Rev. Lett. 105, 027207 (2010)]. Here we predict the analogous effect for single adatoms, namely paramagnetic spin-excitations (PSE). Based on time-dependent density functional theory, we demonstrate that these overdamped excitations acquire a well-defined peak structure in the meV energy region when the adatom's Stoner criterion for magnetism is close to the critical point. In addition, our calculations reveal a subtle tunability and enhancement of PSE by external magnetic fields, exceeding by far the response of bulk paramagnons and even featuring the atomic version of a quantum phase transition. We further demonstrate how PSE can be detected as moving steps in the $\mathrm{d}I/dV$ signal of state-of-the-art inelastic scanning tunneling spectroscopy, opening a potential route for experimentally accessing fundamental electronic properties of non-magnetic adatoms, such as the Stoner parameter.Comment: 6 pages, 3 figure

Zero-point quantum swing of magnetic couples

Quantum fluctuations are ubiquitous in physics. Ranging from conventional examples like the harmonic oscillator to intricate theories on the origin of the universe, they alter virtually all aspects of matter -- including superconductivity, phase transitions and nanoscale processes. As a rule of thumb, the smaller the object, the larger their impact. This poses a serious challenge to modern nanotechnology, which aims total control via atom-by-atom engineered devices. In magnetic nanostructures, high stability of the magnetic signal is crucial when targeting realistic applications in information technology, e.g. miniaturized bits. Here, we demonstrate that zero-point spin-fluctuations are paramount in determining the fundamental magnetic exchange interactions that dictate the nature and stability of the magnetic state. Hinging on the fluctuation-dissipation theorem, we establish that quantum fluctuations correctly account for the large overestimation of the interactions as obtained from conventional static first-principles frameworks, filling in a crucial gap between theory and experiment [1,2]. Our analysis further reveals that zero-point spin-fluctuations tend to promote the non-collinearity and stability of chiral magnetic textures such as skyrmions -- a counter-intuitive quantum effect that inspires practical guidelines for designing disruptive nanodevices

Surface state scattering by adatoms on noble metals

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 spin channels. In the case of adatoms, these states have been found very recently in scanning tunneling spectroscopy experiments\cite{limot,olsson} for the Cu(111) and Ag(111) surfaces. Motivated by these experiments, we carried out a systematic theoretical investigation of the electronic structure of these surface states in the presence of magnetic and non-magnetic atoms on Cu(111). We found that Ca and all 3$d$ adatoms lead to a split-off state at the bottom of the surface band which is, however, not seen for the $sp$ elements Ga and Ge. The situation is completely reversed if the impurities are embedded in the surface: Ga and Ge are able to produce a split-off state whereas the 3$d$ impurities do not. The resonance arises from the s-state of the impurities and is explained in terms of strength and interaction nature (attraction or repulsion) of the perturbing potential.Comment: 6 pages, 5 figure

Engineering elliptical spin-excitations by complex anisotropy fields in 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

Thermally activated magnetization reversal in monoatomic magnetic chains on surfaces studied by classical atomistic spin-dynamics simulations

We analyze the spontaneous magnetization reversal of supported monoatomic chains of finite length due to thermal fluctuations via atomistic spin-dynamics simulations. Our approach is based on the integration of the Landau-Lifshitz equation of motion of a classical spin Hamiltonian at the presence of stochastic forces. The associated magnetization lifetime is found to obey an Arrhenius law with an activation barrier equal to the domain wall energy in the chain. For chains longer than one domain-wall width, the reversal is initiated by nucleation of a reversed magnetization domain primarily at the chain edge followed by a subsequent propagation of the domain wall to the other edge in a random-walk fashion. This results in a linear dependence of the lifetime on the chain length, if the magnetization correlation length is not exceeded. We studied chains of uniaxial and tri-axial anisotropy and found that a tri-axial anisotropy leads to a reduction of the magnetization lifetime due to a higher reversal attempt rate, even though the activation barrier is not changed.Comment: 2nd version contains some improvements and new Appendi

Spin Orbit Coupling and Spin Waves in Ultrathin Ferromagnets: The Spin Wave Rashba Effect

We present theoretical studies of the influence of spin orbit coupling on the spin wave excitations of the Fe monolayer and bilayer on the W(110) surface. The Dzyaloshinskii-Moriya interaction is active in such films, by virtue of the absence of reflection symmetry in the plane of the film. When the magnetization is in plane, this leads to a linear term in the spin wave dispersion relation for propagation across the magnetization. The dispersion relation thus assumes a form similar to that of an energy band of an electron trapped on a semiconductor surfaces with Rashba coupling active. We also show SPEELS response functions that illustrate the role of spin orbit coupling in such measurements. In addition to the modifications of the dispersion relations for spin waves, the presence of spin orbit coupling in the W substrate leads to a substantial increase in the linewidth of the spin wave modes. The formalism we have developed applies to a wide range of systems, and the particular system explored in the numerical calculations provides us with an illustration of phenomena which will be present in other ultrathin ferromagnet/substrate combinations

Dynamical amplification of magnetoresistances and Hall currents up to the THz regime

Spin-orbit-related effects offer a highly promising route for reading and writing information in magnetic units of future devices. These phenomena rely not only on the static magnetization orientation but also on its dynamics to achieve fast switchings that can reach the THz range. In this work, we consider Co/Pt and Fe/W bilayers to show that accounting for the phase difference between different processes is crucial to the correct description of the dynamical currents. By tuning each system towards its ferromagnetic resonance, we reveal that dynamical spin Hall angles can non-trivially change sign and be boosted by over 500%, reaching giant values. We demonstrate that charge and spin pumping mechanisms can greatly magnify or dwindle the currents flowing through the system, influencing all kinds of magnetoresistive and Hall effects, thus impacting also dc and second harmonic experimental measurements.Comment: 19 pages, 4 figures, Supplementary Informatio