Nonlinear surface magneto-optics of ferromagnetic Ni/Cu(001) from first principles

We present first-principles calculations of the nonlinear optical (NLO) response of a Ni/Cu(001) bilayer. The calculations are based on the full potential linearized augmented plane wave (FLAPW) method with the additional implementation of spin–orbit coupling (SOC). On the basis of this set of eigenstates the magneto-optical transition-matrix elements are evaluated. Using the surface-sheet model the optical reflection properties are determined for the cases of the magnetization vector perpendicular to the surface (polar magneto-optical configuration (MOC)) and for the in-plane magnetization (longitudinal MOC). The nonlinear optical susceptibility tensor elements χ⁽²⁾ _ijk for different magnetization directions as well as the spectral dependence of χ⁽²⁾ _ijk, the resulting intensities, and Kerr angles are presented for the Ni/Cu(001) bilayer. The results show that the magnetic tensor elements of the χ⁽²⁾ _ijk tensor are smaller than the nonmagnetic ones by only one order of magnitude, confirming the important role of magnetic properties in the NLO response. Received: 16 October 2001 / Revised version: 8 March 2002 / Published online: 29 May 2002     

Inelastic scattering of Ne atoms from a LiF(001) surface

Scattering experiments with a ²⁰Ne nozzle beam from a LiF(001) surface in the 〈100〉 azimuth are reported. The (11) and (1̄1̄) Bragg reflections show broad tails due to inelastic scattering. These tails can be attributed by time-of-flight measurements to single phonon scattering on acoustic modes. The inelastic contribution decreases rapidly with increasing energy of the phonons involved.     

Fast atom diffraction during grazing scattering from a MgO(001) surface

Fast neutral atoms and molecules with energies from 0.4 up to 3 keV are scattered under a grazing angle of incidence from a clean and flat MgO(001) surface. For “axial surface channeling” conditions, we observe defined diffraction patterns in the angular intensity distributions for scattered ³He and ⁴He atoms as well as H₂ molecules. The diffraction patterns are analyzed in terms of semiclassical trajectory calculations making use of projectile surface interaction potentials derived from density functional theory and from pair potentials calculated from Hartree–Fock wave functions. From comparison of measured and calculated diffraction patterns we deduced the rumpling of the topmost surface layer of MgO(001), i.e. an inward shift of Mg²⁺ ions with respect to O^2? ions, of (0.03±0.03) Å.     

Low energy ion scattering from a Ni(100) surface

We have tudied the scattering of He and Ne ione from a clean Ni(001) surface in the energy range of 0.5 to 5 keV. The spectra are dominated by scattering from atoms in the first layer for energies belowe 2 keV, whereas for higher energies contributions from the second layer can be identified. In the impact collision mode of ion scattering spectroscopy with a scattering angle =164°, the shape of the shadow cone can be determined. These experimental shadow cone radii agree over a wide range of parameters well with calculations using a Thomas-Fermi-Molière potential with a reduced screening length.     

Coherence during scattering of fast H atoms from a LiF(001) surface

The coherence for diffraction effects during grazing scattering of fast hydrogen and helium atoms from a LiF(001) surface with energies up to some keV is investigated via the coincident detection of two-dimensional angular distributions for scattered projectiles with their energy loss. For keV H atoms, we identify electronic excitations of the target surface as the dominant mechanism for decoherence, whereas for He atoms this contribution is small. The suppression of electronic excitations owing to the band gap of insulators plays an essential role for preserving quantum coherence and thus for the application of fast atom diffraction as a surface analytical tool.     

On the neutralization in low energy ion scattering spectroscopy (leiss): He+ ions on clean and oxygen covered Ni(001) surfaces

A formula for the He⁺ ion survival probability against neutralization is presented, which was derived from the fit of the azimuthal angular dependence of the Ni peak heights on clean and O covered Ni(001) surfaces observed in LEISS experiments and computer simulations. The formula contains a collision- and two Auger-type neutralization terms for the ion trajectories prolonged by multiple collisions above the “neutralization surface plane”, which was assumed to be corrugated and shaped like muffin-tins.     

Diffraction of fast atomic projectiles during grazing scattering from a LiF(001) surface

Light atoms and molecules with energies from 300 eV to 25 keV are scattered under a grazing angle of incidence from a LiF(001) surface. For impact of neutral projectiles along low index directions for strings of atoms in the surface plane we observe a defined pattern of intensity spots in the angular distribution of reflected particles which is consistently described using concepts of diffraction theory and specific features of grazing scattering of atoms from insulator surfaces. Experimental results for scattering of H, D, 3He, and 4He atoms as well as H2 and D2 molecules can be unequivocally referred to atom diffraction with de Broglie wavelengths as low as about 0.001 Angstroms.     

An atom scattering study of the kinetics of oxygen adsorption on a nickel (001) surface

A kinematic analysis of the scattering of helium atoms from oxygen adsorbed on Nickel (001) has been performed. For a substrate temperature of 375 K and an oxygen coverage of θ ～ 0.21 a metastable mixture of p(2×2) without long range order and some c(2×2) is obtained. Annealing at 475 K results in a well ordered p(2×2) structure with long range order. An order-disorder transition is identified at ～ 535 K.     

Low-energy electron diffraction study of the phase transition of Si(001) surface below 40 K

The phase transition of Si(001) surface below 40 K was studied by low-energy electron diffraction (LEED). The temperature dependence of the intensities and widths of the quarter order diffraction spots and LEED intensity versus electron energy curves (I-V curves) were obtained in the temperature region from 20 to 300 K. While the spot intensities of the quarter order spots decrease and the widths broaden, the I-V curves do not change so much below 40 K. This clearly shows that a phase transition occurs from an ordered phase above 40 K to a disordered phase below 40 K.