Cu dimer diffusion on strained Cu(0 0 1)

Cu dimer diffusion energy barrier on strained Cu(0 0 1) surfaces has been studied with nudged elastic band method (NEB) and embedded atom method (EAM). Dimer exchange and hopping mechanisms are chosen as the initial diffusion paths in the NEB method. It is shown here that the dimer exchange is dominant on tensile surfaces and the dimer hopping is dominant on compressive surfaces. For most strain conditions Cu dimer diffusion energy barrier is lower than Cu monomer diffusion barrier. The concerted movement of the remaining adatom toward the hopping adatom lowers the dimer hopping barrier. The adsorption induced relaxation makes the dimer exchange barriers lower than the monomer exchange barriers on tensile surfaces. Transition state theory is used to calculate the diffusion frequencies as a function of temperature. No surface crowdion is observed on the shear strained surfaces for the dimer diffusion.     

Epitaxial Heusler alloy films on GaAs(0 0 1) substrates

We present results on fabrication, and structural and electrical properties of single-crystal heterostructures grown by molecular beam epitaxy. The exact stoichiometry of the Heusler alloy films can be achieved for almost lattice matched films. As evidenced by high-resolution X-ray diffraction, transmission electron microscopy, and resistivity measurements, we find an optimum growth temperature of , to obtain ferromagnetic layers with high crystal and interface perfection as well as high degree of atomic ordering. .     

Interaction of atomic H and CO with Cu(1 1 0) and bimetallic Ni/Cu(1 1 0)

Co-adsorption of hydrogen and CO on Cu(1 1 0) and on a bimetallic Ni/Cu(1 1 0) surface was studied by thermal desorption spectroscopy. Hydrogen was exposed in atomic form as generated in a hot tungsten tube. The Ni/Cu surface alloy was prepared by physical vapor deposition of nickel. It turned out that extended exposure of atomic hydrogen leads not only to adsorption at surface and sub-surface sites, but also to a roughening of the Cu(1 1 0) surface, which results in a decrease of the desorption temperature for surface hydrogen. Exposure of a CO saturated Cu(1 1 0) surface to atomic H leads to a removal of the more strongly bonded on-top CO (α₁ peak) only, whereas the more weakly adsorbed CO molecules in the pseudo threefold hollow sites (α₂ peak) are hardly influenced. No reaction between CO and H could be observed. The modification of the Cu(1 1 0) surface with Ni has a strong influence on CO adsorption, leading to three new, distinct desorption peaks, but has little influence on hydrogen desorption. Co-adsorption of H and CO on the Ni/Cu(1 1 0) bimetallic surface leads to desorption of CO and H₂ in the same temperature regime, but again no reaction between the two species is observed.     

Misfit driven azimuthal orientation of NaCl domains on Ag(1 0 0)

We investigated the growth of thin NaCl films on Ag(1 0 0) by spot-profile-analysis low energy electron diffraction (SPA-LEED), varying extensively the growth temperature (200–500 K) and the film thickness (0.5–14 ML). The incommensurate growth of NaCl on Ag(1 0 0) yields (1 0 0)-terminated epitaxial NaCl domains, which are preferentially oriented with their [0 1 0] axis parallel to that of the substrate. At 300 K, the NaCl domains exhibit an azimuthal mosaicity by 14° around this orientation and the NaCl unit cell is laterally contracted in the first layers by 0.9% with respect to the bulk. At higher growth temperatures, the azimuthal mosaic distribution sharpens and additional distinct orientations appear, presumably due to a higher-order commensurability. The evolution of the azimuthal mosaic distribution with increasing temperature can be ascribed to both the NaCl thermal expansion and higher diffusion rates of NaCl on Ag(1 0 0). The best epitaxy, i.e. that with the highest selectivity of a specific azimuthal domain orientation, is achieved by growing NaCl films at low deposition rate (0.1 ML min⁻¹) on the Ag(1 0 0) substrate at constant high temperature (450–500 K). The observations made here can probably be applied more generally to other heterogeneous interfaces and, in particular, be used to improve the quality of thin insulating films.     

Magnetic anisotropy of epitaxial Fe layers grown on Si(0 0 1)

The magnetic properties of epitaxial iron films up to 80 monolayers (ML) thickness grown on Si(0 0 1) by using a template technique were investigated by means of superconducting quantum interference device and magneto-optic Kerr effect techniques. The thinnest films investigated (∼3 ML) exhibit a composition close to Fe₃Si with a Curie temperature below room temperature (RT) and strong out-of-plane remanent magnetization that reflects the presence of a dominant second order surface anisotropy term. Thicker films (⩾4 ML) are ferromagnetic at RT with remanent magnetization in film-plane and a composition closer to pure Fe with typically 8–10% silicon content. When deposited at normal incidence such films show simple in-plane fourfold anisotropy without uniaxial contribution. The relevant fourth-order effective anisotropy constant K₄^eff was measured versus film thickness and found to change its sign near 18 ML. The origin of this remarkable behavior is investigated by means of a Néel model and mainly traced back to fourth-order surface anisotropy and magneto-elastic effects related to the large biaxial in-plane compressive strain up to 3.5% in the thinnest (⩽25 ML) films.     

Tunable magnetic properties of arrays of Fe(1 1 0) nanowires grown on kinetically grooved W(1 1 0) self-organized templates

We report a detailed magnetic study of a new type of self-organized nanowires discussed briefly previously [B. Borca et al., Appl. Phys. Lett. 90 (2007) 142507]. The templates, prepared on sapphire wafers in a kinetically limited regime, consist of uniaxially grooved W(1 1 0) surfaces, with a lateral period here tuned to 15 nm. Fe deposition leads to the formation of (1 1 0) 7 nm-wide wires located at the bottom of the grooves. The effect of capping layers (Mo, Pd, Au, Al) and underlayers (Mo, W) on the magnetic anisotropy of the wires was studied. Significant discrepancies with figures known for thin flat films are evidenced and discussed in terms of step anisotropy and strain-dependent surface anisotropy. Demagnetizing coefficients of cylinders with a triangular isosceles cross-section have also been calculated, to estimate the contribution of dipolar anisotropy. Finally, the dependence of magnetic anisotropy with the interface element was used to tune the blocking temperature of the wires, here from 50 to 200 K.     

Electronic surface states of Cu(1 1 0) surface

Surface states are a unique and important class of quantum states that shave an important effect on the electronic properties of Cu(1 1 0) surface. The Cu(1 1 0) surface has been studied using ultraviolet photoemission spectroscopy (PES), inverse photoemission spectroscopy (IPES), and reflection anisotropy spectroscopy (RAS), and shows a resonance in the RAS spectra at 2.1 eV due to a transition between occupied and unoccupied surface states. The unoccupied surface state involved in the RAS transition at an energy of 1.7 eV at the point of the surface Brillouin zone has been investigated using IPES and the occupied surface state is seen in PES spectra at 0.45 eV below the Fermi level. The energy difference of the surface states, 2.15 eV, is a good match to the transition energy found in the RAS experiments.     

Growth and characterization of CoSi2 films on Si (1 0 0) substrates

In the present work, a special solid phase epitaxy method has been adapted for the preparation of CoSi₂ film. This method includes an epitaxial growth of Co films on Si (1 0 0) substrate, and in situ annealing of the Co/Si films in vacuum. It has been found that at the substrate temperature of 360°C, fcc cobalt film grows epitaxially on the Si (1 0 0) surface. The crystallographic orientation relations between fcc Co film and Si substrate determined from the electron diffraction result are: (0 0 1) Co//(0 0 1) Si, [1 0 0] Co//[1 1 0]Si. Upon annealing at temperatures range from 500 to 600°C, Co film reacts with Si substrate and transforms into CoSi₂. The CoSi₂ films prepared by this way are characterized by XTEM, XPS and AFM.     

Carbon-doped high-mobility hole gases on (0 0 1) and (1 1 0) GaAs

Since Stormer and Tsang have introduced the first two-dimensional hole gas (2DHG) in the GaAs/AlGaAs heterosystem, the choice of suitable dopants was limited to beryllium and silicon over the last 20 years. Both acceptor atoms have significant disadvantages, i.e. either high-diffusion rates or a limitation to specific growth directions. Utilizing a carbon filament-doping source, we prepared high-quality 2DHGs in the (0 0 1) and the nonpolar (1 1 0) crystal plane with carrier mobilies beyond 10⁶ cm²/Vs in quantum well and single interface structures. Low-temperature magnetoresistance measurements recover a large number of fractional QHE states and show a pronounced beating pattern from which the Rashba induced spin-splitting has been determined. In addition, 2DHGs have been grown on cleaved edges of (1 1 0) and (0 0 1) wafers with transport features in qualitative agreement to our findings on (1 1 0) substrates.     

Photoluminescence of ZnO nanowires grown on sapphire (1 1 2¯ 0) substrates

ZnO nanowires were fabricated on c-plane (0 0 0 1), a-plane (1 1 2¯ 0) sapphire, and boron doped p-type (1 0 0) Si substrates in vacuum furnace by simple physical vapor deposition. Room temperature photoluminescence spectra of the nanowires show the near band-edge emission and the deep-level green light emission. The ZnO nanowires formed on sapphire (1 1 2¯ 0) substrates exhibited enhancement on optical properties and better crystalline structures than those of nanowires grown on other substrates. The formation mechanism and the effect of substrate direction on structural and optical properties of the nanowires are discussed.     

Spiral-like motion of the magnetization direction during reorientation in Ni-films on Cu(0 0 1)

The magnetization reorientation from in-plane to out-of-plane, occurring in Ni-films on Cu(0 0 1) around 9 to 10 ML, was studied in situ during growth by second harmonic generation. s→S and p→S polarization combinations of incident fundamental and reflected second harmonic light were used to show that reorientation proceeds in a spiral-like turn of the magnetization from parallel into the direction perpendicular to the steps, in accordance with reports in the literature that reorientation is driven by magneto-elastic forces.     

Reactivity of the Cu2O(1 0 0) surface: Insights from first principles calculations

We present a summary of results of systematic first principles calculations of the electronic and geometric structures of the Cu₂O(1 0 0) surface and the process of CO oxidation on this surface (energetics and pathways of adsorption, diffusion and reactions of CO and O₂ on the surface). The (p, T) phase diagram of the Cu₂O(1 0 0) in equilibrium of with gas phase O₂ built using the ab initio thermodynamics approach suggests that the O-terminated surface is preferred over the Cu-terminated one within the entire ranges of pressures and temperatures in which the compound exists. Metastable Cu-terminated Cu₂O(1 0 0) is found to undergo a surface reconstruction in agreement with experiment. We find CO to oxidize spontaneously on the O-terminated Cu₂O(1 0 0) surface by consuming surface O atoms. Our calculations also show that the surface O-vacancies left in the course of the CO oxidation can be easily filled with dissociative adsorption of the gas phase O₂ molecules, which are usually present in reaction environment.     

Surface deformation phenomena induced by electron-beam irradiation in strained InGaAs/AlGaAs layers on GaAs (1 0 0) and (3 1 1)B substrates

The strained InGaAs/AlGaAs layer structures have been grown on GaAs ( 10 0) and (3 1 1)B substrates in a horizontal low-pressure metalorganic vapor-phase epitaxy system at a temperature of 800°C. In the surface observation using a high-resolution scanning electron microscope, we have found that surface deformation phenomena induced by electron-beam irradiation in strained In_0.36Ga_0.64As,/Al_0.3Ga_0.7As layers on GaAs (1 0 0) and (3 1 1)B substrates. The change of the surface morphology was observed in real time on the display of SEM with the accelerating voltage of 30 kV and the irradiated time of 60–120 s. The surface deformation through mass transport seems to be the cause of the residual strain relaxation due to electron-beam irradiation.     

Surface phonons of GaP(1 1 0) and InAs(1 1 0)

The dispersions of low energy surface phonon modes of GaP(1 1 0) and InAs(1 1 0) measured with inelastic He-atom scattering along the and 0 0 1 directions are presented. Aside from the Rayleigh mode, additional distinct acoustic modes are observed as well as indications of optical modes. Contrary to results for GaAs(1 1 0), a rocking mode was not observed. The experimentally determined phonon dispersions are in excellent agreement with recent ab initio calculations by C. Eckl, et al. [1].     

Annealing effect on InAs islands on GaAs(0 0 1) substrates studied by scanning tunneling microscopy

Post-annealing effects on InAs islands grown on GaAs(0 0 1) surfaces have been investigated by scanning tunneling microscopy (STM) connected to molecular beam epitaxy (MBE). It is found that for islands grown by 1.6 ML InAs deposition at 450 °C, post-annealing at 450 °C in an As₄ atmosphere causes dissolving of the InAs islands. In contrast, for larger islands obtained by 2.0 ML InAs deposition at 450 °C, the post-annealing leads to coarsening of the islands. The result can be explained in terms of a critical nucleus in heterogeneous nucleation.     

Comparative dynamical study of the HD and isotopomers interacting with Pd(1 1 1) and Cu(1 1 0) surfaces

We study the dynamics of HD and H₂ molecules interacting with Pd(1 1 1) and Cu(1 1 0) using the classical trajectory method based on potential energy surfaces obtained from Density Functional Theory calculations. Our results predict a negligible isotopic effect on the dissociative adsorption probability on Pd(1 1 1) whereas on Cu(1 1 0), the adsorption probability for HD(ν_i=0) is slightly lower than for H₂(ν_i=0), mainly due to its lower initial vibrational zero point energy. The final rotational energy distribution of scattered HD and H₂ molecules are very similar. This shows that the asymmetric mass distribution of HD, barely affects the fraction of initial translational energy transferred to rotation during the scattering process. Our calculations point to the larger number of open rotational excitation channels for HD, as the main cause of rotational excitation probabilities larger than for H₂. The theoretical apparent rotational temperature, T_rot, of HD molecules scattered from Pd(1 1 1) at impact energy , is in good agreement with the experimental value. In contrast, for Cu(1 1 0) the theoretical T_rot is much lower than the value measured for Cu(1 0 0). Possible reasons for such a discrepancy between theory and experiments are discussed.     

Adsorption and NiO(1 0 0) formation by atomic and molecular oxygen on Ni(1 1 0)

The structure of the ordered p(2 × 1) and p(3 × 1) phases of adsorbed oxygen as well as the formation of ultrathin NiO(1 0 0) layers on a Ni(1 1 0) single crystal are investigated by grazing scattering of fast hydrogen atoms. Via ion beam triangulation based on the detection of the number of emitted electrons, we obtain direct information on the structure of oxygen adsorbates and ultrathin nickel oxide layers. For oxidation using atomic instead of molecular oxygen, the gas exposure can be reduced by almost two orders of magnitude. We compare the experimental results with computer simulations based on classical projectile trajectories for grazing scattering of fast hydrogen atoms and test structure models for oxygen adsorbed on Ni(1 1 0) and NiO(1 0 0).     

Exchange coupling of Co/Cr(0 0 1) superlattices for in-plane and perpendicular anisotropy

We have investigated the exchange coupling of Co/Cr(0 0 1) superlattices by polar and longitudinal magneto-optical Kerr effect measurements, by varying both the Co and Cr film thicknesses. At a Co thickness of ≈10 Å a nearly perpendicular anisotropy is found with antiferromagnetic order in the range of 5–15 Å of Cr thickness. For these superlattices the magnetization curve starting from remanence to saturation is characterized by a surface spin-flip transition at low field, followed by domain wall nucleation and motion, and finally by a coherent spin rotation with increasing field. Antiferromagnetic coupling is also observed for superlattices with thicker Co layers and with in-plane magnetic anisotropy.