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.     

Angular dependent photon-stimulated desorption of ions from a V2O5(010) surface

Using a display-type analyzer, we have measured the angular and energy distribution of O⁺ ions desorbed from a V₂O₅(010) surface by incident photons. The desorbed ions were mass-analyzed using time-of-flight gating techniques. The angular distribution of desorbed ions was found to be strongly peaked in the direction of the surface normal. This strongly directional desorption pattern reflects the local bonding geometry of the topmost oxygen atoms in the surface. The observed photoexcitation spectrum of the ion yiel can be explained with the core level Auger decay model formulated by Knotek and Feibelman.     

Electronic transport properties of graphene/Al2O3 (0001) interface

The electronic structure and transport properties of a single layer of graphene (Gr) on α-Al₂O₃ surface are studied using the density functional theory (DFT). We present three models that take into account the atom at the termination of the alumina surface: a) Al atoms, with the center of the Gr hexagon directly over an Al atom; b) Al atoms, with a carbon directly positioned above an Al atom; c) oxygen atoms. Two processes of geometric optimization were used: (i) All the atoms of the supercell were allowed to move in accordance with the BFGS quasi-Newton algorithm; (ii) The atoms of the three topmost layers of the α-Al₂O₃ (0001) slab, including the C atoms, were allowed to move, whereas the atoms of the remaining layers were frozen in their respective atomic bulk positions. The first two models preserve qualitatively the electronic structure of the pristine Gr using the geometric optimization process (i) whereas, in the third model this structure was lost due to a significant charge transfer between the carbon and oxygen atoms irrespective of the optimization procedure. However, models (a) and (b) with the optimization (ii) reveal a p-type semiconducting behavior.     

Structure of monolayer silica on Mo(1 1 2) investigated by rainbow scattering under axial surface channeling

The structure of a monolayer crystalline silica film grown on a Mo(1 1 2) substrate is investigated via grazing scattering of fast atoms. For scattering along low indexed directions in the surface plane (“axial surface channeling”) the corrugation of the interaction potential leads to an azimuthal out-of plane scattering with an intensity enhancement for the maximum deflection angle, the so called “rainbow”. From the comparison of the experimental angular distributions for scattered projectiles with classical trajectory simulations we obtain information on the arrangement of atoms in the topmost surface layer. Our work provides evidence for the structural model of a two-dimensional network for the silica film.     

Transverse scattering of radiation upon focusing of pump laser beam to line in experiments on X-ray laser

The force matrix of the SO₂ molecule is calculated without using a priori assumptions on the nature of the force field. The calculations are performed using a comparatively new 3N-matrix method based on the experimental frequencies of characteristic normal vibrations of ³²S¹⁶O₂, ³²S¹⁸O₂, and ³⁴S¹⁶O₂ molecules. It is shown that the direction of the chemical bond between chemically bound S and O atoms does not coincide with the direction of the straight line that connects the nuclei of these atoms. The angle between these directions (deviation angle) is determined. In the approximation of harmonic vibrations, the deviation angle is Δ = 1.092°. The effect of the anharmonicity of vibrations on the deviation angle is evaluated.     

Surface of underdoped YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7-</Subscript><Subscript>δ</Subscript> as revealed by STM/STS

We performed scanning tunneling microscopy and spectroscopy on untwinned crystals of underdoped YBa₂Cu₃O_{7- δ} at δ = 0.4. A comprehensive statistical analysis of our topographic data indicates a doping dependent cleaving behavior of this material. We find in particular that at δ = 0.4 the material primarily cleaves in multiples of one unit cell along the c-axis with a high corrugation of the topmost layer. Our data suggest that the low temperature cleaving mainly results in a disruption of the CuO chain layers involving a redistribution of the layer atoms onto the two cleaving planes. In a few instances, fractional step heights (in terms of the c-axis lattice constant) are observed as well. Scanning tunneling spectroscopy reveals that such fractional steps connect surfaces which differ significantly in their tunneling conductance.     

Electron spectroscopy of autoionizing states of oxygen,chlorine and bromine atoms

The autoionizing atomic states are obtained in dissociation Of O₂, Cl₂ and Br₂ molecules excited by either fast neutral He atoms (O₂) or by photons with 21.217 eV energy (Cl₂, and Br₂). Tentative assignment of the autoionizing levels is given for Cl* and for Br* atoms, and a more detailed one for O* atoms.     

A Mössbauer study on the interaction of active component and support

In order to directly determine and compare the interaction strength between one active component (Fe₂O₃) and six different supports, Mössbauer spectra of the six catalysts under room temperatures 373K, 473K and 573K were recorded. From the temperature dependence of area under the resonance curve and isomer shift (IS) parameter which could be extracted from the resonance spectrum, a lattice vibration related parameter θ_M was calculated._M values can characterize the strength of interaction forces between Mössbauer Fe atoms and its neighbour atoms of supports, hence the order of interaction strength between Fe₂O₃ and various supports is obtained.     

Chemical reaction of sputtered Cu film with PI modified by low energy reactive atomic beam

Polyimide (PMDA-ODA) surface was irradiated by low energy reactive atomic beam with energy 160-180 eV to enhance the adhesion with metal Cu film. O₂⁺ and N₂⁺ ions were irradiated at the fluence from 5 × 10¹⁵ to 1 × 10¹⁸ cm⁻². Wetting angle 78° of distilled deionized (DI) water for bare PI was greatly reduced down to 2-4° after critical ion flounce, and the surface energy was increased from 37 to 81.2 erg/cm. From the analysis of O 1s core-level XPS spectra, such improvement seemed to result from the increment of hydrophilic carbonyl oxygen content on modified PI surface. To see more carefully correlation of the peel strength with interfacial reaction between Cu and PI, flexible copper clad laminate with Cu (9 μm)/Cu (200 nm) on modified PI substrate (25 μm) was fabricated by successive sputtering and electroplating. Firstly, peel strength was measured by using t-test and it was largely increased from 0.2 to 0.5 kgf/cm for Ar⁺ only irradiated PI to 0.72-0.8 kgf/cm for O₂⁺ or N₂O⁺ irradiated PI. Chemical reaction at the interface was reasoned by analyzing C 1s, O 1s, N 1s, and Cu 2p core-level X-ray photoelectron spectroscopy over the as-cleaved Cu-side and PI side surface through depth profiling. From the C 1s spectra of cleaved Cu-side, by the electron transfer from Cu to carbonyl oxygen, carbonyl carbon atom became less positive and as a result shifted to lower binding energy not reaching the binding energy of C₂ and C₃. The binding energy shift of the peak C₄ as small as 1.7 eV indicates that carbonyl oxygen atoms were not completely broken. From the analysis of the O 1s spectra, it was found that new peak at 530.5 eV (O₃) was occurred and the increased area of the peak O₃ was almost the same with reduced area of the peak carbonyl oxygen peak O₁. Since there was no change in the relative intensity of ether oxygen (O₂) to carbonyl oxygen (O₁), and thus O₃ was believed to result from Cu oxide formation via a local bonding of Cu with carbonyl oxygen atoms. Moreover, from X-ray induced Auger emission spectra Cu LMM which was very sensitive to chemical bonding, Cu oxide or CuOC complex formation instead of CuNO complex was clearly identified by the observation of the peak at 570 eV at higher 2 eV than that of metal Cu. In conclusion, when Cu atoms were sputtered on modified PI by low energy ion beam irradiation, it can be suggested that two Cu atoms locally reacted with carbonyl oxygen in PMDA units and formed Cu⁺O⁻C complex linkage without being broken from carbon atoms and thus the chemically bound Cu was in the form of Cu₂O.     

X-ray photoelectron spectroscopy study on the CrN surface grown on sapphire substrate to control the polarity of ZnO by plasma-assisted molecular beam epitaxy

We have studied on the polarity selection procedure of ZnO grown on CrN buffer by using X-ray photoelectron spectroscopy (XPS). XPS studies have been performed on the O- and Zn-treated CrN/Al₂O₃surfaces and revealed that Cr₂O₃ and Zn-chromate-like structures are formed on O- and Zn-treated CrN surfaces, respectively. The polarity selection procedure is explained in terms of the variation of bonding coordination by the formation of ZnO on the topmost O- and Zn-atoms of each surface.     

Structural properties and diffusion processes of the Cu3Au (0 0 1) surface

The surface relaxation and surface energy of both the mixed AuCu and pure Cu terminated Cu₃Au (0 0 1) surfaces are simulated and calculated by using the modified analytical embedded-atom method. We find that the mixed AuCu termination is energetically preferred over the pure Cu termination thereby the mono-vacancy diffusion is also investigated in the topmost few layers of the mixed AuCu terminated Cu₃Au (0 0 1) surface. In the mixed AuCu terminated surface the relaxed Au atoms are raised above Cu atoms for 0.13 Å in the topmost layer. All the surface atoms displace outwards, this effect occurs in the first three layers and changes the first two inter-layer spacing. For mono-vacancy migration in the first layer, the migration energies of Au and Cu mono-vacancy via two-type in-plane displace: the nearest neighbor jump (NNJ) and the second nearest neighbor jump (2NNJ), are calculated and the results show that the NNJ requires a much lower energy than 2NNJ. For the evolution of the energy requirements for successive nearest neighbor jumps (SNNJ) along three different paths: circularity, zigzag and beeline, we find that the circularity path is preferred over the other two paths due to its minimum energy barriers and final energies. In the second layer, the NN jumps in intra- and inter-layer of the Cu mono-vacancy are investigated. The calculated energy barriers and final energies show that the vacancy prefer jump up to a proximate Cu site. This replacement between the Cu vacancy in the second layer and Cu atom in the first layer is remunerative for the Au atoms enrichment in the topmost layer.     

Defect-annealing in neutron-damaged β-Ga2O3

A study is made of the effect of fast neutrons on the electrical conductivity and thermoelectric power and also the neutron-induced defects in β-Ga₂O₃. It is found that the conductivity decreases while the thermoelectric power increases after an irradiation of about 10¹⁷ nvt. This is explained by assuming that the defects introduced into the Ga₂O₃ lattices act as trapping centres for electrons. The defect anneal by thermally activated processes at temperatures up to about 1000 °K with an activation energy of about 2 eV. The defects are the most likely vacancies of the galium atoms.     

XPS and TPD investigation of CO adsorption on mixed Rh-V layers supported by gamma-alumina

Alumina-supported mixed bimetallic Rh-V thin films, with the overall thickness of 0.8 ML, were prepared under the ultrahigh vacuum (UHV) conditions and characterized with respect to their electronic and CO adsorption properties. X-ray photoelectron spectroscopy (XPS) was utilized to characterize electronic changes accompanying bimetallic Rh-V interaction and interaction between metal and polycrystalline γ-Al₂O₃ substrate. The chemisorption properties were probed by temperature-programmed desorption spectroscopy (TPD) of CO molecules. The electronic and chemisorption properties of the mixed layers were compared with pure Rh and V layers grown on the same γ-Al₂O₃ substrate and with a model bimetallic Rh-V system prepared by V deposition on a polycrystalline Rh foil. By varying the preparation conditions, we observed a strong dependence of the studied properties on the position of the V atoms. The presence of V atoms on the surface led to a fast deactivation, while vanadium presented under the surface resulted in a weakening of CO-metal surface bond, a change in the proportion of the adsorption side species, and an increase of CO dissociation.     

Observation of OH angular momentum polarization produced by H+O2 at 2.6 eV collision energy

The OH rotational polarization produced by the reaction of fast H atoms from the polarized 193 nm photolysis of HBr with O₂ (2.6 eV collision energy) has been measured by laser-induced fluorescence using polarized analysis light. A strong rotational polarization parallel to the electric vector of the dissociation laser and perpendicular to the flight direction of the H atoms is observed. Implications for the H+O₂ reaction dynamics at high collision energies are discussed.     

The effects of fast neutron irradiation on oxygen in Czochralski silicon

The effects of fast neutron irradiation on oxygen atoms in Czochralski silicon (CZ-Si) are investigated systemically by using Fourier transform infrared (FTIR) spectrometer and positron annihilation technique (PAT). Through isochronal annealing, it is found that the trend of variation in interstitial oxygen concentration ([O_i]) in fast neutrons irradiated CZ-Si fluctuates largely with temperature increasing, especially between 500 and 700℃. After the CZ-Si is annealed at 600℃, the V₄ appearing as three-dimensional vacancy clusters causes the formation of the molecule-like oxygen clusters, and more importantly these dimers with small binding energies (0.1--1.0eV) can diffuse into the Si lattices more easily than single oxygen atoms, thereby leading to the strong oxygen agglomerations. When the CZ-Si is annealed at temperature increasing up to 700℃, three-dimensional vacancy clusters disappear and the oxygen agglomerations decompose into single oxygen atoms (O) at interstitial sites. Results from FTIR spectrometer and PAT provide an insight into the nature of the [O_i] at temperatures between 500 and 700℃. It turns out that the large fluctuation of [O_i] after short-time annealing from 500 to 700℃ results from the transformation of fast neutron irradiation defects.     

Adsorption and desorption of oxygen and carbon monoxide on the Si(111) surface studied by ion scattering spectroscopy

The adsorption of O₂ and CO on the Si(111) surface was studied by low-energy helium ion scattering. The adsorption consists of a fast adsorption stage followed by a much slower Sorption process. In the final uptake region CO has a faster rate of increase than O. There is no evidence of He⁺ scattering from C atoms. This fact excludes the CO molecule having its axis parallel to the surface. A comparison of the intensities of the substrate (Si) signals, for the same recorded oxygen content on the surface, shows that carbon monoxide shadows the Si atoms more than oxygen does. An increase in the oxygen signal was observed even after exposures in the range of 10¹⁴–10¹⁵ molecules cm^?2. No substantial diffusion of CO into the bulk can be deduced from these results. Desorption of oxygen by He⁺ ions was observed by following the adsorbate and substrate signals as a function of time. The sputtering cross-section has a maximum for an impact angle of 25° relative to the surface.     

Adsorption of oxygen on W(110): II. The high coverage range

The structure and composition of the interaction layer between oxygen and a W(110) surface for oxygen coverages θ above 0.5 monolayers is studied with LEED, AES, thermal desorption and work function change measurements. Oxygen is adsorbed by depositing WO₂ followed by annealing. The results are interpreted in terms of a topmost layer consisting only of oxygen atoms followed by the formation of isolated three-dimensional WO₃ crystals after saturation of the two-dimensional oxidation layer at 15 × 10¹⁴ O atoms cm^?2. All available experimental evidence is compatible with this interpretation.     

Observation of large low‐field magnetoresistance in spinel cobaltite: A new half‐metal

Low‐field magnetoresistance is an effective and energy‐saving way to use half‐metallic materials in magnetic reading heads and magnetic random access memory. Common spin‐polarized materials with low field magnetoresistance effect are perovskite‐type manganese, cobalt, and molybdenum oxides. In this study, we report a new type of spinel cobaltite materials, self‐assembled nanocrystalline NiCo₂O₄, which shows large low field magnetoresistance as large as –19.1% at 0.5 T and –50% at 9 T (2 K). The large low field magnetoresistance is attributed to the fast magnetization rotation of the core nanocrystals. The surface spin‐glass is responsible for the observed weak saturation of magnetoresistance under high fields. Our calculation demonstrates that the half‐metallicity of NiCo₂O₄ comes from the hopping e_g electrons within the tetrahedral Co‐atoms and the octahedral Ni‐atoms. The discovery of large low‐field magnetoresistance in simple spinel oxide NiCo₂O₄, a non‐perovskite oxide, leads to an extended family of low‐field magnetoresistance materials. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Transverse Seebeck effect in Bi2Sr2CaCu2O8

2 Cu₃O₇ has been observed in “off-c-axis” grown Bi₂Sr₂CaCu₂O₈ films. The films were prepared by pulsed laser deposition from Bi₂Sr₂CaCu₂O₈ targets and grown with a tilt angle of 10 degrees between the film c-axis and the film surface on off-axis cut SrTiO₃ substrates. From the thermoelectric response upon laser irradiation the anisotropy of the thermopower is estimated. Received: 15 April 1996/ Accepted:19 November 1996