Microscopic scattering imaging measurement and digital evaluation system of defects for fine optical surface

According to ISO10110-7 and the engineering standards of Inertial Confinement Fusion (ICF), this paper presents a microscopic scattering imaging and analyzing system which allows one to automatically evaluate defects in random distributions and shapes on the surface of fine optical components of large aperture. The annularly disposed multi-beam fiber light sources illuminate the target surface with a special angle. The image, which has bright defects on black background, is suitable for digital image processing. With XY-scanning system, the defect information of full aperture can be obtained by stitching the sub-aperture image array, according to the algorithms of template matching. The full aperture image is divided into N × N sub-apertures, each of which has view field of approximate 3 mm × 4 mm. Image processing software for image recognition has been established using mathematical morphology with high computing efficiency and friendly graphics user interface. A group of standard reticules fabricated by binary optics can scale defects for calibration. As a result the lateral resolution of the system is better than sub-micrometer while the total view field can be hundreds of millimeters. The comparison quantitative data results between the experiment and standard demonstrate the system is competent for the digital evaluation of defect characterization of fine optical surfaces, especially for the ones with large aperture.     

Stress modifications induced by dimer vacancies in the Si(0 0 1) surface: Monte Carlo simulations

By means of Monte Carlo simulations, we investigate the local stress modifications induced by dimer vacancies (DVs) in the Si(0 0 1) subsurface layers. In presence of n isolated compact DVs, the sites located below these defect rows are under clearly compressive stress in the third layer and under more and more tensile stress, as n increases, in the fourth layer. At higher DVs densities, analogous trends are observed, but the stress modifications are then slightly extended between the dimer rows. Applying our results to the Ge penetration in Si(0 0 1), we show how the knowledge of the local stress may allow predictions of a given impurity behaviour in the vicinity of the surface, provided that the impurity-defect and impurity-impurity interactions do not play a major role compared to the local stress modification induced by the presence of DVs.     

Diffusion of particles over strongly anisotropic surface with traps

We investigate surface diffusion in a system of particles adsorbed on a two-dimensional strongly anisotropic lattice. There are two kinds of the lattice sites - ordinary sites and deep traps. Particles adsorbed in the ordinary sites can migrate over the surface, but particles adsorbed in traps are immobile. These particles do not move over the surface and they obstacle also the mobile particles migration (surface defects). Using kinetic Monte Carlo simulations we obtained coverage dependencies of the tracer, jump, and chemical diffusion coefficients. The coefficients are rather sensitive to the defect concentration. Even small admixture of the defects decreases drastically the fast diffusion. The effect is rather specific: strong dependence of the pre-exponential factor on the defect concentration and almost independent activation energy. The defect influence on the slow diffusion is weak. It results in strong decreasing of the surface diffusion anisotropy with the defect concentration. Such unusual behavior of the diffusion coefficients was observed in many experimental investigations of the surface diffusion of lithium, cesium, potassium, and strontium over strongly anisotropic W(1 1 2) and Mo(1 1 2) planes. It was shown that this specific behavior arises exclusively due to the surface anisotropy, and does not depend on the lateral interaction between the particles.     

Novel mesoscale defect structure on NiO(1 0 0) surfaces by atomic force microscopy

Cleaved NiO(1 0 0) surfaces were imaged with atomic force microscopy (AFM) to determine defect concentrations and morphology. Random 〈0 1 0〉 and 〈0 0 1〉 oriented steps, which have been previously characterized, were the most common defect observed on the cleaved surface and formed with step heights in multiples of 2.1 Å, the Ni-O nearest-neighbor distance, and terrace widths in the range of 25-100 nm. In addition, the surface showed novel mesoscale (∼0.5-2 μm) square pyramidal defects with the pyramid base oriented along 〈1 0 0〉 symmetry related directions. Upon etching, the pyramidal defects converted to more stable cubic pits, consistent with (1 0 0) symmetry related walls. The square pyramidal pits tended to cluster or to form along step edges, where the weakened structure is more susceptible to surface deformations. Also, a small concentration of square pyramidal pits, oriented with the base of the pyramid along 〈0 1 1〉, was observed on the cleaved NiO surfaces. For comparison purposes, chemical mechanical polished (CMP) NiO(1 0 0) substrates were imaged with AFM. Defect concentrations were of comparable levels to the cleaved surface, but showed a different distribution of defect types. Long-ranged stepped defects were much less common on CMP substrates, and the predominant defects observed were cubic pits with sidewalls steeper than could be accurately measured by the AFM tip. These defects were similar in size and structure to those observed on cleaved NiO(1 0 0) surfaces that had been acid etched, although pit clustering was more pronounced for the CMP surfaces.     

The processes of ordering and formation of two-dimensional glasses at metal surfaces

Using the experimental results obtained for the Dy-Mo(1 1 2) system, we discuss the possibilities and mechanisms of formation of two-dimensional (2D) glasses on metal surfaces. It has been found that in the coverage range 0.07 < θ < 0.58, ordered Dy superstructures formed and observed at T < 400 K are irreversibly destroyed by annealing to higher temperatures and turn into an amorphous (glass) structure on cooling. It is supposed that this conversion is caused by the formation, at T > 400 K, of a Dy-Mo surface alloy in which the rate of Dy surface diffusion is strongly reduced in comparison with its value in the absence of alloying. As a result, the mobility of Dy adatoms becomes too low at the temperatures corresponding to the ordered equilibrium state of the surface, and this state cannot be achieved in reasonable relaxation time. This interpretation is corroborated by the experimental data on substantial suppression of surface diffusion in some coadsorbed layers. Since surface glasses contact with ordered (crystalline) substrates, their structure may have a peculiar character different from that of “conventional” metal glasses. Surface glasses can find a number of applications as rather stable systems that combine low dimensionality, specific electronic structure of their constituents and extremely high density of defects.     

Effect of surface steps on sputtering and surface defect formation: molecular-dynamics study of 5 keV Xe bombardment of Pt(1 1 1) at glancing incidence angles

Using molecular-dynamics simulation, we study sputtering and defect formation induced by 5 keV Xe⁺ ion impact on a Pt(1 1 1) surface at oblique and glancing incidence angles. Impact on a terrace produces yield maxima at ?=60-65° incidence angle towards the surface normal. Beyond 75-80°, no damage is produced due to projectile ion reflection. Impact on a dense-packed step, however, produces defects in sizeable numbers up to glancing incidence, ?=85°. The dependence of the yields on the incidence angle and distance of the impact point of the projectile to the step are discussed.     

Surface-induced magnetism of the solids with impurities and vacancies

Using the quantum-mechanical approach combined with the image charge method we calculated the lowest energy levels of the impurities and neutral vacancies with two electrons or holes located in the vicinity of flat surface of different solids. Unexpectedly we obtained that the magnetic triplet state is the ground state of the impurities and neutral vacancies in the vicinity of surface, while the nonmagnetic singlet is the ground state in the bulk, for e.g. He atom, Li⁺, Be⁺⁺ ions, etc. The energy difference between the lowest triplet and singlet states strongly depends on the electron (hole) effective mass μ, dielectric permittivity of the solid ε₂ and the distance from the surface z₀. For z₀=0 and defect charge ∣Z∣=2 the energy difference is more than several hundreds of Kelvins at μ=(0.5−1)m_e and ε₂=2-10, more than several tens of Kelvins at μ=(0.1−0.2)m_e and ε₂=5-10, and not more than several Kelvins at μ<0.1m_e and ε₂>15 (m_e is the mass of a free electron). Pair interaction of the identical surface defects (two doubly charged impurities or vacancies with two electrons or holes) reveals the ferromagnetic spin state with the maximal exchange energy at the definite distance between the defects (∼5-25 nm). We estimated the critical concentration of surface defects and transition temperature of ferromagnetic long-range order appearance in the framework of percolation and mean field theories, and RKKY approach for semiconductors like ZnO. We obtained that the nonmagnetic singlet state is the lowest one for a molecule with two electrons formed by a pair of identical surface impurities (like surface hydrogen), while its next state with deep enough negative energy minimum is the magnetic triplet. The metastable magnetic triplet state appeared for such molecule at the surface indicates the possibility of metastable ortho-states of the hydrogen-like molecules, while they are absent in the bulk of material. The two series of spectral lines are expected due to the coexistence of ortho- and para-states of the molecules at the surface. We hope that obtained results could provide an alternative mechanism of the room temperature ferromagnetism observed in TiO₂, HfO₂, and In₂O₃ thin films with contribution of the oxygen vacancies. We expect that both anion and cation vacancies near the flat surface act as magnetic defects because of their triplet ground state and Hund's rule. The theoretical forecasts are waiting for experimental justification allowing for the number of the defects in the vicinity of surface is much larger than in the bulk of as-grown samples.     

The chemical potential in surface segregation calculations: AgPd alloys

We put forward a technique for calculating the surface segregation profile in substitutional disordered alloys. The surface internal energy and the effective bulk and surface chemical potentials are calculated using the full charge density exact muffin-tin orbitals method, combined with the coherent potential approximation. The application of our approach is demonstrated to the close-packed surface of Ag_cPd_1−c random alloys with 0 < c < 1. The surface concentration profile, surface energy and segregation energy are investigated as functions of bulk composition. The present results are compared with former theoretical and experimental data. It is found that at low temperature, Ag segregates to the surface layer for the entire bulk composition range. At 0 K, the subsurface layer contains 100% Pd for c ? 0.4, and somewhat more than (2c − 1) Ag in alloys with c > 0.5. The temperature dependence of the segregation profile is significant for Pd rich alloys and for alloys with intermediate concentrations. At temperatures ?600 K, the subsurface layer is obtained to be almost bulk like.     

Effect of strain relaxation of oxidation-treated SiGe epitaxial thin films and its nanomechanical characteristics

In this study, we examined the effect of high-temperature oxidation treatment on the SiGe epitaxial thin films deposited on Si substrates. The X-ray diffraction (XRD), atomic force microscopy (AFM), and nanoindentation techniques were employed to investigate the crystallographic structure, surface roughness, and hardness (H) of the SiGe thin films, respectively. The high-temperature oxidation treatment led to Ge pileup at the surface of the SiGe thin films. In addition, strain relaxation occurred through the propagation of misfit dislocations and could be observed through the cross-hatch pattern (800-900 °C) and SiGe islands (1000 °C) at the surface of the SiGe thin films. Subsequent hardness (H) measurement on the SiGe thin films by continuous penetration depth method indicated that the phenomenon of Ge pileup caused a slightly reduced H (below 50 nm penetration depth), while relaxation-induced defects caused an enhanced H (above 50 nm penetration depth). This reveals the influence of composition and defects on the structure strength of high-temperature oxidation-treated SiGe thin films.     

Capabilities of using white x-rays for the reconstruction of surface morphology from coherent reflectivity

We present a new method to reconstruct the surface profile of a sample from coherent reflectivity data of a white x-ray beam experiment. As an example the surface profile of a laterally confined silicon wafer has been reconstructed quantitatively from static speckle measurements using white coherent x-rays from a bending magnet in the energy range between 5 < E < 20 keV. As a consequence of using white radiation, speckles appear in addition to the Airy pattern caused by scattering at the entrance pinhole. Nevertheless, the surface profile of a triangularly shaped specimen was reconstructed considering sufficient oversampling between the beam-footprint and the effective sample width. For the profile reconstruction the Error-Reduction phase retrieval algorithm was modified by including the spectral illumination function and a Fresnel propagator term. The simultaneous use of different x-ray energies having different penetration depth provides information on the evolution of the surface profile from the near-surface towards the bulk. The limitations of present experiment can be overcome using white or pink radiation from a source with higher photon flux.     

Nitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principles

Experimental studies of nitrogen adsorbed on a Cu(1 1 1) surface show that the surface layer undergoes a reconstruction to form a pseudo-(1 0 0) structure. We use ab initio techniques to demonstrate the theoretical stability of this reconstructed surface phase over a range of conditions. We systematically investigate the chemisorption of N on the Cu(1 1 1) surface, from 0.06 to 1 ML coverage. A peculiar atomic relaxation of N atoms for 0.75 ML is identified, which results in the formation of a (metastable) “N-trimer cluster” on the surface. We have also investigated surface nitride formation, as suggested from experiments. A surface nitride-like structure similar to the reported pseudo-(1 0 0) reconstruction is found to be highly energetically favored. Using concepts from “ab initio atomistic thermodynamics”, we predict that this surface nitride exists for a narrow range of nitrogen chemical potential before the formation of bulk Cu₃N.     

Vacancy defects induced in sintered polished UO2 disks by helium implantation

Vacancy defects have been investigated in sintered polished and annealed uranium oxide disks. Slow positron beam coupled with Doppler broadening spectrometer was used to probe the track region of 1 MeV ³He ions implanted in uranium dioxide (UO₂) disks. The low and high momentum annihilation fractions, S and W, respectively, were measured in the first micrometer near surface region of the disks as a function of positron energy. The S and W values indicate that the 1 MeV He ions induce vacancy defects in the track region of their range. The vacancy defect depth distribution is heterogeneous. The positron trapping at these vacancy defects increases with the depth and with the implantation fluence indicating an increase of the vacancy defect concentration. The nature of the induced vacancy defects does not change with the fluence.     

Application of nano-scale Josephson junction as phase sensitive detector for analysis of vortex states in mesoscopic superconductors

We study phase shifts in a Josephson junction induced by vortices in superconducting mesoscopic electrodes. The position of the vortices are controlled by suitable geometry of a nano-scale Nb–Pt_1−xNi_x–Nb junction of the overlap type made by Focused Ion Beam (FIB) sculpturing. The vortex is kept outside the junction, parallel to the junction plane. From the measured Fraunhofer characteristics the entrance and exit of vortices are detected. By changing the bias current through the junction at constant magnetic field the vortices can be manipulated and the system can be switched between two consecutive vortex states which are characterized by different critical currents of the junction. A mesoscopic superconductor thus acts as a non-volatile memory cell in which the junction is used both for reading and writing information (vortex). Furthermore, we observe that the critical current density of Nb–Pt_1−xNi_x–Nb junctions decreases non-monotonously with increasing Ni concentration. It exhibits a minimum at ∼40 at.% Ni, which is an indication of switching into the π state.     

Vortex properties of mesoscopic superconducting samples

In this work we investigated theoretically the vortex properties of mesoscopic samples of different geometries, submitted to an external magnetic field. We use both London and Ginzburg–Landau theories and also solve the non-linear Time Dependent Ginzburg–Landau equations to obtain vortex configurations, equilibrium states and the spatial distribution of the superconducting electron density in a mesoscopic superconducting triangle and long prisms with square cross-section. For a mesoscopic triangle with the magnetic field applied perpendicularly to sample plane the vortex configurations were obtained by using Langevin dynamics simulations. In most of the configurations the vortices sit close to the corners, presenting twofold or three-fold symmetry. A study of different meta-stable configurations with same number of vortices is also presented. Next, by taking into account de Gennes boundary conditions via the extrapolation length, b, we study the properties of a mesoscopic superconducting square surrounded by different metallic materials and in the presence of an external magnetic field applied perpendicularly to the square surface. It is determined the b  -limit for the occurrence of a single vortex in a mesoscopic square of area d²$d^2$, for 4ξ(0)?d?10ξ(0)$4\xi (0)?d?10\xi (0)$.     

Effects of surface inactivation, high temperature drying and preservative treatment on surface roughness and colour of alder and beech wood

Although extensive research has been conducted in wood surface quality analysis, a unified approach to surface quality characterisation does not exist. Measurements of the variation in surface roughness and surface colour are used widely for the evaluation of wood surface quality. Colour is a basic visual feature for wood and wood-based products. Colour measurement is one of the quality control tests that should be carried out because the colour deviations are spotted easily by the consumers. On the other hand, a common problem faced by plywood manufacturers is panel delamination, for which a major cause is poor quality glue-bonds resulting from rough veneer. Rotary cut veneers with dimensions of 500 mm × 500 mm × 2 mm manufactured from alder (Alnus glutinosa subsp. barbata) and beech (Fagus orientalis Lipsky) logs were used as materials in this study. Veneer sheets were oven-dried in a veneer dryer at 110 °C (normal drying temperature) and 180 °C (high drying temperature) after peeling process. The surfaces of some veneers were then exposed at indoor laboratory conditions to obtain inactive wood surfaces for glue bonds, and some veneers were treated with borax, boric acid and ammonium acetate solutions. After these treatments, surface roughness and colour measurements were made on veneer surfaces. High temperature drying process caused a darkening on the surfaces of alder and beech veneers. Total colour change value (ΔE^*) increased linear with increasing exposure time. Among the treatment solutions, ammonium acetate caused the biggest colour change while treatment with borax caused the lowest changes in ΔE^* values. Considerable changes in surface roughness after preservative treatment did not occur on veneer surfaces. Generally, no clear changes were obtained or the values mean roughness profile (R_a) decreased slightly in R_a values after the natural inactivation process.     

Photoemission investigations on nanostructured TiO2 grown by cluster assembling

Nanostructured titanium dioxide (ns-TiO₂) films were grown by supersonic cluster beam deposition method. Transmission electron microscopy demonstrated that films are mainly composed by TiO₂ nanocrystals embedded in an amorphous TiO₂ phase while their electronic structure was studied by photoemission spectroscopy. The cluster assembled ns-TiO₂ films are expected to exhibit several structural and chemical defects owing to the large surface to volume ratio of the deposited clusters. Ultraviolet photoemission spectra (hv = 50 eV) from the valence band unveil the presence of a restrained amount of surface Ti 3d defect states in the band gap, whereas Ti 2p core level X-ray photoelectron (hv = 630 eV) spectra do not manifestly disclose these defects.     

Critical current densities and flux creep rate in Co-doped BaFe2As2 with columnar defects introduced by heavy-Ion irradiation

We report the formation of columnar defects in Co-doped BaFe₂As₂ single crystals with different heavy-ion irradiations. The formation of columnar defects by 200 MeV Au ion irradiation is confirmed by transmission electron microscopy and their density is about 40% of the irradiation dose. Magneto-optical imaging and bulk magnetization measurements reveal that the critical current density J_c is enhanced in the 200 MeV Au and 800 MeV Xe ion irradiated samples while J_c is unchanged in the 200 MeV Ni ion irradiated sample. We also find that vortex creep rates are strongly suppressed by the columnar defects. We compare the effect of heavy-ion irradiation into Co-doped BaFe₂As₂ and cuprate superconductors.     

Kinetic length and step permeability on the Si(1 1 1) (1 × 1) surface

Information on the kinetic regime of step motion and step permeability on the Si(1 1 1) (1 × 1) surface has been obtained from observations of island decay that were made with low energy electron microscopy. Island area during decay exhibits the expected power law dependence on time, with exponent, α, that is a qualitative indicator of the kinetic regime. A new method is presented for determining the kinetic length quantitatively from measurements of the decay exponent in the symmetric island decay geometry on top of a larger concentric circular island. Using this approach, we determine the kinetic length on the Si(1 1 1) (1 × 1) surface at 1163 K to be d ∼ 75a, where a is the lattice constant. It is shown that this result locates step motion firmly in the diffusion limited regime. Mass conservation of decaying island stacks is also observed at this temperature, which indicates that steps are effectively impermeable in the context of diffusion limited step kinetics.     

The stability of fcc (1 1 1) metal surfaces

The results of a theoretical study on the stability of fcc (1 1 1) metal surfaces to certain commensurate-incommensurate reconstructive phase transformations is presented. Specifically, we have performed computer simulation studies of the 22×√3 surface reconstruction of Au(1 1 1). This reconstruction involves a uniaxial contraction of the top monolayer corresponding to a surface strain of about 4.3% and has been observed to be the stable structure for the clean surface at low temperatures. The driving force for the reconstruction has been associated with the quantity (f−γ), where f is the surface stress and γ is the surface free energy, while the opposing force is due to the disregistry with the underlying lattice. A continuum model yields a stability criterion that depends on the knowledge of a small number of physical quantities: f, γ, the equilibrium nearest-neighbor spacing r₁ and the shear modulus G. We have performed molecular dynamics simulations as a general stability analysis of these types of reconstructions. The results are in excellent agreement with the continuum model. The simulations using embedded-atom method potentials also accurately reproduce many observed features of the reconstruction on Au(1 1 1).     

A comparison of the M3/M4 metastable defect detected in hydrogen and ICP Ar plasma treated n-GaAs

Defects created by a dc hydrogen plasma have been compared to those observed in n-GaAs exposed to an inductively coupled (ICP) Ar plasma. The reference sample (in the case of H-plasma treated material) contained two prominent native deep level electron traps, possibly M4 and E_C−0.56 eV, which were both passivated by hydrogen. Plasma treatment also resulted in the formation of a defect observed at 0.58 eV (M3) below the conduction band. This defect transforms back into what is believed to be M4 when annealed at 350 K for 3 h under reverse bias. These two defects compare well with two similar defects observed in the Ar ICP treated samples also showing metastable behavior. Additionally, the electrical characterization of Schottky barrier diodes on n-GaAs, prior to and after hydrogen passivation shows that, depending on the plasma conditions, the plasma ions significantly damage the surface resulting in poor rectifying contacts. The damage is considerably reversed/repaired upon annealing between the room temperature and 573 K (300 °C).