In order to study spin-wave excitations of itinerant ferromagnets a relativistic first-principles method based on the adiabatic approach is presented. The derivatives of the free energy up to second order with respect of the polar and azimuthal angles are derived within the framework of the magnetic force theorem and the fully relativistic Korringa-Kohn-Rostoker method. Exchange and spin-orbit coupling are thus incorporated on equal footing in the Hamiltonian. Furthermore, a detailed comparison to classical spin Hamiltonians is given and it is shown that the magnetocrystalline anisotropy energy contains contributions from both the on-site anisotropy and the off-site exchange coupling terms. The method is applied to an Fe monolayer on Cu(001) and Au(001) surfaces and for a Co monolayer on Cu(001). The calculations provide with the gap at zero wave number due to the spin-orbit coupling and uniaxial anisotropy energies in good agreement with the results of the band energy difference method. It is pointed out that the terms in the spin-wave Hamiltonian related to the mixed partial derivatives of the free energy, absent within a nonrelativistic description, introduce an asymmetry in the magnon spectrum with respect to two in-plane easy axes. Moreover, in the case of an in-plane magnetized system the long-wavelength magnons are elliptically polarized due to the difference of the second-order uniaxial and fourth-order in-plane magnetic anisotropy.
The tip of a low-temperature scanning tunneling microscope is brought into contact with individual cobalt atoms adsorbed on Cu(100). A smooth transition from the tunneling regime to contact occurs at a conductance of . Spectroscopy in the contact regime, i.e., at currents in a range, was achieved and indicated a significant change of the Kondo temperature . Calculations indicate that the proximity of the tip shifts the cobalt band and thus affects .
In order to explain the anisotropic Rashba-Bychkov effect observed in several metallic-surface-state systems, we use k\ifmmode\cdot\else\textperiodcentered\fi{}p perturbation theory with a simple group-theoretical analysis and construct effective Rashba Hamiltonians for different point groups up to third order in the wave number. We perform relativistic ab initio calculations for the (3\ifmmode\times\else\texttimes\fi{}3)R30$\circ${} Bi/Ag(111) surface alloy, and from the calculated splitting of the band dispersion we find evidence of the predicted third-order terms. Furthermore, we derive expressions for the corresponding third-order Rashba parameters to provide a simple explanation of the qualitative difference concerning the Rashba-Bychkov splitting of the surface states at Au(111) and Bi/Ag(111).
Magnetic atoms coupled to the Cooper pairs of a superconductor induce Yu-Shiba-Rusinov states (in short Shiba states). In the presence of sufficiently strong spin-orbit coupling, the bands formed by hybridization of the Shiba states in ensembles of such atoms can support low-dimensional topological superconductivity with Majorana bound states localized on the ensembles’ edges. Yet, the role of spin-orbit coupling for the hybridization of Shiba states in dimers of magnetic atoms, the building blocks for such systems, is largely unexplored. Here, we reveal the evolution of hybridized multi-orbital Shiba states from a single Mn adatom to artificially constructed ferromagnetically and antiferromagnetically coupled Mn dimers placed on a Nb(110) surface. Upon dimer formation, the atomic Shiba orbitals split for both types of magnetic alignment. Our theoretical calculations attribute the unexpected splitting in antiferromagnetic dimers to spin-orbit coupling and broken inversion symmetry at the surface. Our observations point out the relevance of previously unconsidered factors on the formation of Shiba bands and their topological classification.