Crystal truncation rods and surface roughness

Robinson, I. K.

doi:10.1103/physrevb.33.3830

Cited by 968 publications

(581 citation statements)

References 16 publications

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“…This observation is characteristic for an increase in surface roughness which is also accompanied by an increase in diffuse scattering around the CTRs. By applying the beta model [22], we can estimate the increase in surface roughness from the reduction of the structure factor after water dosing at room temperature and after heating to 520 K under water vapor flow. The structure factors decreases by around 30 % at (3,3,2.7), corresponding to an increase in root mean square (r.m.s.)…”

Section: Water and Co On Magnetite (001)mentioning

confidence: 99%

Atomic structure and stability of magnetite Fe3O4(001): An X-ray view

et al. 2016

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Section: Water and Co On Magnetite (001)mentioning

confidence: 99%

Atomic structure and stability of magnetite Fe3O4(001): An X-ray view

et al. 2016

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“…The good fit to the data was obtained without any structural refinement and assuming a flat interface. In principle, roughness of the interface could be accounted for [13]. We would expect any deviations from a flat interface to lead to a reduction in the intesity of the rod in between the Bragg peaks.…”

Section: Resultsmentioning

confidence: 99%

“…Some Bragg rods arise from the truncation of the crystal at a plane (surface or interface) and are formed from the tails of Bragg peaks overlapping in reciprocal space in the direction normal to the surface [12]. These rods are known as crystal truncation rods (CTR) [13] and are widely used to determine the atomic arrangement at surfaces. They have, however, not often been been applied to buried interfaces and never before to a wellaligned bicrystal interface.…”

Section: Bragg Rod Scattering From Interfacesmentioning

confidence: 99%

Silicon Σ13(501) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering

et al. 2013

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The atomic structure of the silicon Σ13(501) symmetric tilt grain boundary interface has been determined using Bragg rod x-ray scattering. In contrast to conventional structural studies of grain boundary structure using transmission electron microscopy this approach allows the non-destructive measurement of macroscopic samples. The interface was found to have a single structure that is fully four-fold coordinated. X-ray diffraction data were measured at Beamline I07 at the Diamond Light Source.

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“…Conventionally, the surface roughness for metals and semiconductors is often modeled with the classical beta roughness model by Robinson [44]. However, we find the model is inadequate to describe the roughness in heteroepitaxial oxide system with ultrathin overlayers.…”

Section: A Ctr Model Fittingmentioning

confidence: 99%

“…This characteristic makes SXRD an ideal tool for studying the surface structural changes in situ during catalytic reactions or thin film growth. SXRD measures continuous intensity variation along the crystal truncation rods (CTRs), diffuse features in-between the strongly scattering Bragg peaks [44,45] that arise from a flat, truncated surface of a single crystal or of an epitaxial film. The variation is extremely sensitive to the structural parameters of the surface or interface, including layer occupancies, atomic displacements, and the surface roughness.…”

Section: Fig1mentioning

confidence: 99%

Surface structure of coherently strained ceria ultrathin films

et al. 2016

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Cerium oxide, or ceria, is an important material for solid oxide fuel cell and water splitting devices. Although the ceria surface is active in catalytic and electrochemical reactions, how its catalytic properties are affected by the surface structure under operating conditions is far from understood. We investigate the structure of the coherently strained CeO 2 ultrathin films on yttriastabilized zirconia (001) single crystals by specular synchrotron X-ray diffraction (XRD) under oxidizing conditions as a first step to study the surface structure in situ. An excellent agreement between the experiment data and the model is achieved by using a "stacks and islands" model that has a two-component roughness. One component is due to the tiny clusters of nm scale in lateral dimensions on each terrace, while the other component is due to slightly different CeO 2 thickness that span over hundreds of nm on neighboring terraces. We attribute the non-uniform thickness to step de-pairing during the thin film deposition which is supported by the surface morphology results on the microscopic level. Importantly, our model also shows that the polarity of the ceria surface is removed by a half monolayer surface coverage of oxygen. The successful resolution of the ceria surface structure using in situ specular synchrotron XRD paves the way to study the structural evolution of ceria as a fuel cell electrode under catalytically relevant temperatures and gas pressures.

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Crystal truncation rods and surface roughness

Cited by 968 publications

References 16 publications

Atomic structure and stability of magnetite Fe3O4(001): An X-ray view

Atomic structure and stability of magnetite Fe3O4(001): An X-ray view

Silicon Σ13(501) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering

Surface structure of coherently strained ceria ultrathin films

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