STRUCTURAL DETERMINATION OF THE Si/Cu(110) INTERFACE BY PHOTOELECTRON DIFFRACTION

1997 ◽  
Vol 04 (06) ◽  
pp. 1331-1335 ◽  
Author(s):  
C. ROJAS ◽  
J. A. MARTÍn-GAGO ◽  
E. ROMÁN ◽  
G. PAOLUCCI ◽  
B. BRENA ◽  
...  
Keyword(s):  
Room Temperature ◽  
Structural Parameters ◽  
Single Scattering ◽  
Structural Determination ◽  
X Ray ◽  
Photoelectron Diffraction ◽  
First Order ◽  
Proposed Model ◽  
Laboratory Source

Deposition of 0.5 Si monolayer (ML) on a Cu (110) surface at room temperature (RT) leads to the formation of a c(2×2) LEED pattern. In order to find out the surface atomic structure of this ordered phase, X-ray photoelectron diffraction (XPD) azimuthal scans at different photon energies and full hemispherical XPD patterns of the Si 2 p core level have been measured using both synchrotron radiation and a laboratory source. We present an atomic model for the surface structure based on the examination of forward scattering and first order interference XPD features. Refinement of the structural parameters was achieved by performing single scattering cluster (SSC) calculations. In the proposed model Si atoms replace Cu atoms at the surface along the [Formula: see text] atomic rows.

scholarly journals Break of symmetry at the surface of IrTe2 upon phase transition measured by X-ray photoelectron diffraction

2021 ◽  
Author(s):  
Maxime Rumo ◽  
Aki Pulkkinen ◽  
KeYuan Ma ◽  
Fabian von Rohr ◽  
Matthias Muntwiler ◽  
...  
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Room Temperature ◽  
Local Environment ◽  
Atomic Position ◽  
X Ray ◽  
Photoelectron Diffraction ◽  
First Order ◽  
First Order Phase Transition ◽  
First Order Phase

Abstract IrTe2 undergoes a series of charge-ordered phase transitions below room temperature that are characterized by the formation of stripes of Ir dimers of different periodicities. Full hemispherical X-ray photoelectron diffraction (XPD) experiments have been performed to investigate the atomic position changes undergone near the surface of 1T−IrTe2 in the first-order phase transition, from the (1 × 1) phase to the (5 × 1) phase. Comparison between experiment and simulation allows us to identify the consequence of the dimerization on the Ir atoms local environment. We report that XPD permits to unveil the break of symmetry of IrTe2 trigonal to a monoclonic unit cell and confirm the occurence of the (5 × 1) reconstruction within the first few layers below the surface with a staircase-like stacking of dimers.

X-RAY PHOTOELECTRON DIFFRACTION STUDY OF A LONG-RANGE-ORDERED ACETATE LAYER ON Ni(110)

2000 ◽  
Vol 07 (01n02) ◽  
pp. 25-36 ◽  
Author(s):  
M. NOWICKI ◽  
A. EMUNDTS ◽  
J. WERNER ◽  
G. PIRUG ◽  
H. P. BONZEL
Keyword(s):  
Room Temperature ◽  
Solid Angle ◽  
Single Scattering ◽  
Real Space ◽  
X Ray ◽  
Photoelectron Diffraction ◽  
Acetate Complex ◽  
Cluster Calculations ◽  
Model Layer ◽  
Good Agreement

An investigation of acetic acid adsorption on Ni(110) at room temperature by LEED and X-ray photoelectron diffraction reveals a well-ordered c(2 × 2) acetate overlayer with a molecular coverage near 0.5. Large solid angle maps of angle-resolved C 1s and O 1s intensities from this layer show intense maxima due to electron forward scattering by nearby atoms, either of the same acetate or of neighboring acetate species. The data provide strong evidence for acetate in a bidentate configuration, bonded through both oxygen atoms to the surface and aligned along the [Formula: see text] surface azimuth. A real space model for the c(2 × 2) acetate layer has been derived and single scattering cluster calculations for this model layer have been carried out for C 1s and O 1s emissions. Allowing for changes in intramolecular bond length of the acetate relative to those in a Ni-acetate complex, good agreement between experimental and theoretical C 1s and O 1s distributions was obtained.

Structural determination of the Pd{110}(2×1)p2mg-CO system by means of high-energy x-ray photoelectron diffraction

1996 ◽  
Vol 54 (4) ◽  
pp. 2839-2845 ◽  
Author(s):  
A. Locatelli ◽  
B. Brena ◽  
G. Comelli ◽  
S. Lizzit ◽  
G. Paolucci ◽  
...  
Keyword(s):  
High Energy ◽  
Structural Determination ◽  
X Ray ◽  
Photoelectron Diffraction

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

The formation and structure of a 1,5-disubstituted S4N4 ring, (Ph3P=N)2S4N4, from the reaction of triphenylphosphine with tetrasulphur tetranitride

1979 ◽  
Vol 57 (23) ◽  
pp. 3171-3172 ◽  
Author(s):  
Josef Bojes ◽  
Tristram Chivers ◽  
Greg MacLean ◽  
Richard T. Oakley ◽  
A. Wallace Cordes
Keyword(s):  
Structural Determination ◽  
X Ray ◽  
Novel Products

Two novel products, (Ph3P=N)2S4N4 and (Ph3P=N)3S+S4N5−, have been isolated from the reaction of triphenylphosphine with S4N4; an X-ray structural determination of (Ph3P=N)2S4N4 shows it to consist of a 1,5-disubstituted S4N4 ring with the exocyclic substituents in an axial, equatorial configuration.

Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction

2005 ◽  
Vol 61 (4) ◽  
pp. 455-463 ◽  
Author(s):  
Jacques Lefebvre ◽  
Jean-François Willart ◽  
Vincent Caron ◽  
Ronan Lefort ◽  
Frédéric Affouard ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Size Effects ◽  
Room Temperature ◽  
Real Space ◽  
Hydroxyl Groups ◽  
Soft Constraints ◽  
Rietveld Refinements ◽  
X Ray ◽  
Mixed Compound

The mixed form of α/β lactose was obtained by heating amorphous α-lactose at 443 K. NMR spectroscopy determined the stoichiometry of this mixed compound to be 1/1. The X-ray powder diffraction pattern was recorded at room temperature with a sensitive curved detector (CPS 120). The structure was solved by real-space methods (simulated annealing) followed by Rietveld refinements with soft constraints on bond lengths and bond angles. The H atoms of the hydroxyl groups were localized by minimization of the crystalline energy. The cell of 1/1 α/β lactose is triclinic with the space group P1 and contains two molecules (one molecule of each anomer). The crystalline cohesion is achieved by networks of O—H...O hydrogen bonds. The width of the Bragg peaks is interpreted through a microstructural approach in terms of isotropic strain effects and anisotropic size effects.

Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction

2005 ◽  
Vol 61 (2) ◽  
pp. 185-191 ◽  
Author(s):  
Cyril Platteau ◽  
Jacques Lefebvre ◽  
Frederic Affouard ◽  
Jean-François Willart ◽  
Patrick Derollez ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Structural Model ◽  
Hydroxyl Groups ◽  
Rietveld Refinements ◽  
X Ray ◽  
Hydrogen Bond Networks ◽  
Monte Carlo Simulated Annealing ◽  
Annealing Method

The stable anhydrous form of α-lactose has been obtained by the dehydration of α-lactose monohydrate in methanol. An X-ray powder diffraction pattern was recorded at room temperature with a laboratory diffractometer equipped with an INEL curved sensitive detector CPS120. The starting structural model of this form was found by a Monte-Carlo simulated annealing method. The structure was obtained through Rietveld refinements and the minimization of crystalline energy for the localization of the H atoms of the hydroxyl groups. Soft restraints were applied to bond lengths and angles. Networks of O—H...O hydrogen bonds account for the crystalline cohesion. A comparison is made between the hydrogen-bond networks of this form and those of the monohydrate and hygroscopic anhydrous forms of α-lactose.

scholarly journals ASAXS study of CaF2nanoparticles embedded in a silicate glass matrix

2014 ◽  
Vol 47 (1) ◽  
pp. 60-66 ◽  
Author(s):  
Armin Hoell ◽  
Zoltan Varga ◽  
Vikram Singh Raghuwanshi ◽  
Michael Krumrey ◽  
Christian Bocker ◽  
...  
Keyword(s):  
Heat Treatment ◽  
Spatial Distribution ◽  
Glass Matrix ◽  
Structural Parameters ◽  
Pixel Detector ◽  
Oxyfluoride Glass ◽  
X Ray ◽  
X Ray Scattering ◽  
Silicate Glass Matrix

The formation and growth of nanosized CaF2crystallites by heat treatment of an oxyfluoride glass of composition 7.65Na2O–7.69K2O–10.58CaO–12.5CaF2–5.77Al2O3–55.8SiO2(wt%) was investigated using anomalous small-angle X-ray scattering (ASAXS). A recently developed vacuum version of the hybrid pixel detector Pilatus 1M was used for the ASAXS measurements below the CaK-edge of 4038 eV down to 3800 eV. ASAXS investigation allows the determination of structural parameters such as size and size distribution of nanoparticles and characterizes the spatial distribution of the resonant element, Ca. The method reveals quantitatively that the growing CaF2crystallites are surrounded by a shell of lower electron density. This depletion shell of growing thickness hinders and finally limits the growth of CaF2crystallites. Moreover, in samples that were annealed for 10 h and more, additional very small heterogeneities (1.6 nm diameter) were found.

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