Resolution correction for surface X-ray diffraction at high beam exit angles

Owing to the two-dimensional periodicity of a superstructure on the crystal surface, the intensity in reciprocal space is continuously distributed along rods normal to the sample surface. The analysis of rod scans in surface X-ray diffraction provides information about the structure parameters normal to the sample surface. For high resolution to be achieved, the measurements must extend to momentum transfers q that are as large as possible. At large exit angles, the conventional Lorentz factor must be modified to take account of the finite aperture of the detector and the continuous intensity along the lattice rod. For two types of Z-axis diffractometer used in surface X-ray crystallography, an analytical expression for the resolution correction of rod-scan intensity data has been developed. It takes into account an anisotropic detector resolution T(, ), the finite width of the diffracted beam and the primary-beam divergence parallel to the sample surface, . The calculation of the convolution functions is simplified by a projection onto the q = 0 plane. The effects of different detector settings and the influences of the primary-beam divergence and the sample quality on the measured intensity are demonstrated for several examples

The Ge(001) (2 × 1) reconstruction: asymmetric dimers and multilayer relaxation observed by grazing incidence X-ray diffraction

Grazing incidence X-ray diffraction has been used to analyze in detail the atomic structure of the (2 × 1) reconstruction of the Ge(001) surface involving far reaching subsurface relaxations. Two kinds of disorder models, a statistical and a dynamical were taken into account for the data analysis, both indicating substantial disorder along the surface normal. This can only be correlated to asymmetric dimers. Considering a statistical disorder model assuming randomly oriented dimers the analysis of 13 symmetrically independent in-plane fractional order reflections and of four fractional order reciprocal lattice rods up to the maximum attainable momentum transfer qz = 3c* (c* = 1.77 × 10−1 Å−1) indicates the formation of asymmetric dimers characterized by R>D = 2.46(5) Å as compared to the bulk bonding length of R = 2.45 Å. The dimer height of Δ Z = 0.74(15) Å corresponds to a dimer buckling angle of 17(4)°. The data refinement using anisotropic thermal parameters leads to a bonding length of RD = 2.44(4) Å and to a large anisotropy of the root mean-square vibration amplitudes of the dimer atoms (u112) 1/2 = 0.25 Å, (u222)1/2 = 0.14 Å, (u332)1/2 = 0.50 Å). We have evidence for lateral and vertical disp tenth layer below the surface

A new type of reconstruction on the InSb() surface determined by grazing incidence X-ray diffraction

The (3×3) reconstruction of the InSb( ) surface has been investigated by grazing incidence X-ray diffraction and scanning tunneling microscopy. The structure is characterized by 6-atom rings on top of a slightly buckled InSb top double layer. Two types of rings have been found, an elliptic ring consisting of 4 In and 2 Sb atoms and a trigonal ring with 3 In and 3 Sb atoms. The bond angles and lengths are consistent with the concept of rehybridization and depolarization which explains the reconstructions of the (111) and (110) surfaces

Transboundary geophysical mapping of geological elements and salinity distribution critical for the assessment of future sea water intrusion in response to sea level rise

Geophysical techniques are increasingly being used as tools for characterising the subsurface, and they are generally required to develop subsurface models that properly delineate the distribution of aquifers and aquitards, salt/freshwater interfaces, and geological structures that affect groundwater flow. In a study area covering 730 km2 across the border between Germany and Denmark, a combination of an airborne electromagnetic survey (performed with the SkyTEM system), a high-resolution seismic survey and borehole logging has been used in an integrated mapping of important geological, physical and chemical features of the subsurface. The spacing between flight lines is 200–250 m which gives a total of about 3200 line km. About 38 km of seismic lines have been collected. Faults bordering a graben structure, buried tunnel valleys, glaciotectonic thrust complexes, marine clay units, and sand aquifers are all examples of geological structures mapped by the geophysical data that control groundwater flow and to some extent hydrochemistry. Additionally, the data provide an excellent picture of the salinity distribution in the area and thus provide important information on the salt/freshwater boundary and the chemical status of groundwater. Although the westernmost part of the study area along the North Sea coast is saturated with saline water and the TEM data therefore are strongly influenced by the increased electrical conductivity there, buried valleys and other geological elements are still revealed. The mapped salinity distribution indicates preferential flow paths through and along specific geological structures within the area. The effects of a future sea level rise on the groundwater system and groundwater chemistry are discussed with special emphasis on the importance of knowing the existence, distribution and geometry of the mapped geological elements, and their control on the groundwater salinity distribution is assessed

Deep groundwater and potential subsurface habitats beneath an Antarctic dry valley

The occurrence of groundwater in Antarctica, particularly in the ice-free regions and along the coastal margins is poorly understood. Here we use an airborne transient electromagnetic (AEM) sensor to produce extensive imagery of resistivity beneath Taylor Valley. Regional-scale zones of low subsurface resistivity were detected that are inconsistent with the high resistivity of glacier ice or dry permafrost in this region. We interpret these results as an indication that liquid, with sufficiently high solute content, exists at temperatures well below freezing and considered within the range suitable for microbial life. These inferred brines are widespread within permafrost and extend below glaciers and lakes. One system emanates from below Taylor Glacier into Lake Bonney and a second system connects the ocean with the eastern 18 km of the valley. A connection between these two basins was not detected to the depth limitation of the AEM survey (∼350 m)