Microscopic structure of the<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>/Si interface

Himpsel, F. J.; McFeely, F. R.; Taleb‐Ibrahimi, A.; Yarmoff, J. A.; Hollinger, G.

doi:10.1103/physrevb.38.6084

Cited by 1,830 publications

(934 citation statements)

References 70 publications

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“…5,14,15 In this method, the number density of modified surface Si atoms, Γ Si,surf , was deduced from the ratio of the integrated area under the Si peak assigned to the surface atoms, I Si,surf , to the integrated area of the Si peak assigned to bulk Si atoms, I Si,bulk , with…”

Section: Methodsmentioning

confidence: 99%

High-Resolution Soft X-ray Photoelectron Spectroscopic Studies and Scanning Auger Microscopy Studies of the Air Oxidation of Alkylated Silicon(111) Surfaces

et al. 2006

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High-resolution soft X-ray photoelectron spectroscopy was used to investigate the oxidation of alkylated silicon(111) surfaces under ambient conditions. Silicon(111) surfaces were functionalized through a two-step route involving radical chlorination of the H-terminated surface followed by alkylation with alkylmagnesium halide reagents. After 24 h in air, surface species representing Si + , Si 2+ , Si 3+ , and Si 4+ were detected on the Cl-terminated surface, with the highest oxidation state (Si 4+ ) oxide signal appearing at +3.79 eV higher in energy than the bulk Si 2p 3/2 peak. The growth of silicon oxide was accompanied by a reduction in the surface-bound Cl signal. After 48 h of exposure to air, the Cl-terminated Si(111) surface exhibited 3.63 equivalent monolyers (ML) of silicon oxides. In contrast, after exposure to air for 48 h, CH 3 -, C 2 H 5 -, or C 6 H 5 CH 2 -terminated Si surfaces displayed <0.4 ML of surface oxide, and in most cases only displayed ≈0.20 ML of oxide. This oxide was principally composed of Si + and Si 3+ species with peaks centered at +0.8 and +3.2 eV above the bulk Si 2p 3/2 peak, respectively. The silicon 2p SXPS peaks that have previously been assigned to surface Si-C bonds did not change significantly, either in binding energy or in relative intensity, during such air exposure. Use of a high miscut-angle surface (7°vs e0.5°off of the (111) surface orientation) yielded no increase in the rate of oxidation nor change in binding energy of the resultant oxide that formed on the alkylated Si surfaces. Scanning Auger microscopy indicated that the alkylated surfaces formed oxide in isolated, inhomogeneous patches on the surface.

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Section: Methodsmentioning

confidence: 99%

High-Resolution Soft X-ray Photoelectron Spectroscopic Studies and Scanning Auger Microscopy Studies of the Air Oxidation of Alkylated Silicon(111) Surfaces

et al. 2006

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“…Finally we note that in several experiments, photoemission has been used to measure the number of Si atoms at the interface having intermediate oxidation states [2,3,14]. Many theoretical studies have attempted to reproduce or explain these statistics [6,9], but the interpretation is surprisingly subtle [14].…”

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confidence: 99%

Structure and Energetics of the Si-SiO2Interface

2000

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Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO 2 interface, especially the (001)-oriented interface used in most devices [1]. AlthoughSi is crystalline and the oxide is amorphous, the interface is essentially perfect, with an extremely low density of dangling bonds or other electrically active defects. With the continual decrease of device size, the nanoscale structure of the silicon/oxide interface becomes more and more important. Yet despite its essential role, the atomic structure of this interface is still unclear. Using a novel Monte Carlo approach, we identify low-energy structures for the interface. The optimal structure found consists of Si-O-Si "bridges" ordered in a stripe pattern, with very low energy. This structure explains several puzzling experimental observations. Experiments offer many clues to the interface structure, but their interpretation remains controversial, because of the complexities inherent in studying disordered materials. Proposed models range from a graded interface [2,3] to a sharp interface [4] and even to a crystalline oxide layer at the interface [5]. Most theoretical studies have involved guessing reasonable structures [6], sometimes even using hand-built models [7]. More recently, there have been attempts to obtain an unbiased structure using unconstrained molecular dynamics (MD) [8] and Monte Carlo (MC) studies [9]. However, because of kinetic limitations these studies have not been able to identify the equilibrium structure. Calculations of the interface energy are also not possible with existing methods.

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“…The results are shown in Figure 1b as a function of SiO x film thickness. The Si oxygen content has been calculated with the method presented in ref 27 (the Si 2s, 2p and O XPS data and interpretation are available in the SI). The oxidation state of silicon increases with the oxide thickness and becomes stoichiometric SiO 2 beyond 1.4−1.5 nm thickness.…”

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confidence: 99%

Impact of the Ga Droplet Wetting, Morphology, and Pinholes on the Orientation of GaAs Nanowires

Matteini¹,

Tütüncüoǧlu²,

Mikulik³

et al. 2016

Crystal Growth & Design

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Ga-catalyzed growth of GaAs nanowires on Si is a candidate process for achieving seamless III/V integration on IV. In this framework, the nature of silicon's surface oxide is known to have a strong influence on nanowire growth and orientation and therefore important for GaAs nanowire technologies. We show that the chemistry and morphology of the silicon oxide film controls liquid Ga nucleation position and shape; these determine GaAs nanowire growth morphology. We calculate the energies of formation of Ga droplets as a function of their volume and the oxide composition in several nucleation configurations. The lowest energy Ga droplet shapes are then correlated to the orientation of nanowires with respect to the substrate. This work provides the understanding and the tools to control nanowire morphology in self-assembly and pattern growth.

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Microscopic structure of theSiO2/Si interface

Cited by 1,830 publications

References 70 publications

High-Resolution Soft X-ray Photoelectron Spectroscopic Studies and Scanning Auger Microscopy Studies of the Air Oxidation of Alkylated Silicon(111) Surfaces

High-Resolution Soft X-ray Photoelectron Spectroscopic Studies and Scanning Auger Microscopy Studies of the Air Oxidation of Alkylated Silicon(111) Surfaces

Structure and Energetics of the Si-SiO2Interface

Impact of the Ga Droplet Wetting, Morphology, and Pinholes on the Orientation of GaAs Nanowires

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