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>transformation: Interfacial structure and mechanism

Ourmazd, A.; Taylor, Diana; Rentschler, J. A.; Bevk, J.

doi:10.1103/physrevlett.59.213

Cited by 334 publications

(114 citation statements)

References 7 publications

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“…Bridge bonds have appeared in several previous models of the Si-SiO 2 interface [5][6][7]9]. However, it has apparently not been previously recognized that these are the key element, giving an ideal low-energy interface.…”

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confidence: 99%

“…There has been considerable interest in the possibility of a crystalline interfacial oxide [5,13]. We can form an interface between Si(001) and tridymite (0001) which resembles the stripe phase above, but the tridymite is under considerable strain (about 7% in one direction and 13% in the other).…”

mentioning

confidence: 99%

“…Yet several experiments have suggested the presence of a crystalline oxide layer roughly 5Å thick at the interface, based on both electron microscopy [5] and x-ray diffraction [13].…”

mentioning

confidence: 99%

“…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].…”

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confidence: 99%

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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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confidence: 99%

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confidence: 99%

“…Yet several experiments have suggested the presence of a crystalline oxide layer roughly 5Å thick at the interface, based on both electron microscopy [5] and x-ray diffraction [13].…”

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confidence: 99%

mentioning

confidence: 99%

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Structure and Energetics of the Si-SiO2Interface

2000

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“…Si(111), Si(lOO) and Si(911) and silicon oxide is flat on an atomic scale (this was shown to be true for both native and thermal oxide [18]). We assume that this is also the case for the Si(llO)-silicon oxide interface.…”

Section: Methodsmentioning

confidence: 99%

Study of the step structure of vicinal Si(110) surfaces using optical second harmonic generation

1993

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Effects of the Substrate Crystals upon the Structure of Thermal Oxide Layers on Si

Shimura

Sensui

1998

Cryst. Res. Technol.

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F himurD rF ensui nd wF meno heprtment of wteril nd vife ieneD qrdute hool of ysk niversityD tpn iffets of the ustrte grystls upon the truture of herml yxide vyers on i hedited to rofF qF forrmnn on the osion of his WHth irthdy gomprisons of frgg refletions from therml oxide thin films on i wfers were mde for five sets of smples with vrious kinds of sustrtesF he intensities of the refletions for the smples with the sustrte of etter qulity were stronger thn those of poor oneD inditing tht the strutures of the rystlline iy P in the oxide lyer were relted with the qulity of the i sustrtesF st is lso shown tht no diffrtion peks were oserved from the oxide lyers grown on i sustrtes y hemil vpor depositionF

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Si→SiO2transformation: Interfacial structure and mechanism

Cited by 334 publications

References 7 publications

Structure and Energetics of the Si-SiO2Interface

Structure and Energetics of the Si-SiO2Interface

Study of the step structure of vicinal Si(110) surfaces using optical second harmonic generation

Effects of the Substrate Crystals upon the Structure of Thermal Oxide Layers on Si

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