X-ray scattering studies of the Si-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>interface

Fuoss, P. H.; Norton, L. J.; Brennan, S.; Fischer-Colbrie, A.

doi:10.1103/physrevlett.60.600

Cited by 105 publications

(23 citation statements)

References 5 publications

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“…Quartz is the material for timing in electronic circuits. Other crystalline silica, such as cristobalite, can be found in Si and SiO 2 interfaces in microchips [95,96]. Since the discovery of carbon nano-tubes, different types of nano-tubes and nano-wires have been studied both in theory and experiment.…”

Section: Interface Between Finite Element and MDmentioning

confidence: 99%

Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

Cheng

Wang

et al. 2006

J Computer-Aided Mater Des

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Over the past 6 years, we have engaged in a multi-faceted computational investigation of water-silica interactions at the fundamental physical and chemical level. This effort has necessitated development and implementation of simulation methods including high-accuracy quantum mechanical approaches, classical molecular dynamics, finite element techniques, and multi-scale modeling. We have found that water and silica can interact via either hydration or hydroxylation. Depending on physical conditions, the former process can be weak (<0.2 eV) or strong (near 1.0 eV). Compared to hydration, the latter process yields much larger energy gains (2-3 eV/water). Some hydroxylated silica systems can accept more water molecules and undergo further hydroxylation. We have also studied the role of external stress, effects of finite silica system size, different numbers of water molecules, and temperature dependences.

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Section: Interface Between Finite Element and MDmentioning

confidence: 99%

Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

Cheng

Wang

et al. 2006

J Computer-Aided Mater Des

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“…32 might exist in the SiO 2 layer. While in thermal SiO 2 on cubic Si(001) substrates tetragonal α-cristobalite crystallites are found, 33 under normal conditions (atmosphere pressure, room temperature) the only stable modification of SiO 2 is α-quartz. Temperature and pressure during the oxidation would cause a formation of β-quartz (hexagonal), which usually converts to α-quartz (rhombohedral) when it cools down.…”

Section: Results and Discussion (Type A)mentioning

confidence: 99%

Structural enhancement of ZnO on SiO2 for photonic applications

Ruth

Meier

2013

AIP Advances

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Multi-layer thin films are often the basis of photonic devices. Zinc oxide (ZnO) with its excellent optoelectronic properties can serve as a high quality emitter in structures like microdisks or photonic crystals. Here, we present a detailed study on the enhancement of the structural properties of low-temperature MBE grown ZnO on silica (SiO2). By thermal annealing a grain coalescence of the initially polycrystalline layer leads to an enhancement of the electronic structure, indicated by a blue shift of the photoluminescence (PL) signal maximum. Oxygen atmosphere during the annealing process prevents the creation of intrinsic defects by out-diffusion. Pre-annealing deposited SiO2 capping layers instead obstruct the recrystallization and lead to less intense emission. While thin capping layers partially detach from the ZnO film at high temperatures and cause higher surface roughness and the weakest emission, thicker layers remain smoother and exhibit a significantly stronger photoluminescence.

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“…GIXS analysis of the Si -SiO 2 interface was reported by Fuoss et al . [42] , and several other examples of GIXS applications have been described by Segm ü ller [43] . GIXS diffraction studies of LangmuirBlodgett fi lms [29] , and also of oriented polycrystalline Cr 2 O 3 layers [44] , have been reported (the latter study employed a sealed laboratory X -ray tube).…”

Section: Grazing Incidence X -Ray Scattering ( Gixs )mentioning

confidence: 97%

Grazing Incidence X‐Ray Methods for Near‐Surface Structural Studies

Gibson

2011

Surface and Thin Film Analysis

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PrinciplesX -ray diffraction ( XRD ) represents the classical method for determining the crystalline structure of solid materials. The basic principle of XRD -Bragg ' s law -was expounded early during the twentieth century, and subsequently supplemented by theories regarding the detailed interpretation of XRD patterns. Over the past several decades, the instrumentation of XRD has evolved continuously, with more powerful and collimated X -ray beams and different diffraction geometries opening up possibilities for structural analysis in many different applications. Today, sophisticated software packages facilitate studies into determining the structure of very complex crystallographic systems. As research into surface modifi cation has led to increasing numbers of applications in industry -especially of thin fi lms -" grazing incidence, " or " glancing angle " geometries have been developed in order to render XRD more surface -sensitive. Currently, many XRD equipment manufacturers offer systems, or system attachments for " glancing angle " or " grazing incidence " XRD (GAXRD, GIXRD, GIXD, or GXRD). The aim of this chapter is to provide a broad outline of the two major grazing incidence XRD geometries, and to identify the differences between these and the standard θ − 2 θ diffraction method. The technique of grazing incidence X -ray refl ectivity ( GXRR , GIXR, GXR, or XRR) is also described, as the related theory is of central relevance here and is often applied on the same systems used for GAXRD. In order to complete the picture concerning grazing incidence X -ray structural analysis, a particular variant of X -ray absorption spectroscopy is briefl y mentioned. However, this technique can only be effectively applied at synchrotron radiation sources, and a full description of the method and the enormous range of applications would require a lengthy article in itself. In this chapter GXRR and one of the two principal glancing angle diffraction techniques are described in more detail, as these are normally applied on laboratory X -ray systems. Since theoretical aspects are not

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X-ray scattering studies of the Si-SiO2interface

Cited by 105 publications

References 5 publications

Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

Structural enhancement of ZnO on SiO2 for photonic applications

Grazing Incidence X‐Ray Methods for Near‐Surface Structural Studies

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