Publication

Structurally relaxed models of the Si(001)-SiO2 interface

Alfredo Pasquarello
1996
Journal Articles

Abstract

We present a first-principles investigation of the structural properties of two models for the Si(001)-SiO2 interface. The models derive from attaching tridymite, a crystalline form of SiO2, to Si(001), and then allowing for full relaxation. These models do not show electronic states in the silicon gap, as required by electrical experiments. They contain the three intermediate oxidation states of silicon, consistent with photoemission experiments. We study bond length and bond angle distributions and measures of local strain. The strain is localized to a transition region at the interface. Strain does not persist in the full oxide. (C) 1996 American Institute of Physics.

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https://infoscience.epfl.ch/entities/publication/0227b3a8-523c-4081-82c2-a737385f6e19

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Alfredo Pasquarello
1996
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/0227b3a8-523c-4081-82c2-a737385f6e19

About this result

Related concepts (32)

Crystalline silicon

Crystalline silicon or (c-Si) Is the crystalline forms of silicon, either polycrystalline silicon (poly-Si, consisting of small crystals), or monocrystalline silicon (mono-Si, a continuous crystal). Crystalline silicon is the dominant semiconducting material used in photovoltaic technology for the production of solar cells. These cells are assembled into solar panels as part of a photovoltaic system to generate solar power from sunlight. In electronics, crystalline silicon is typically the monocrystalline form of silicon, and is used for producing microchips.

Silicon

Silicon is a chemical element with the symbol Si and atomic number 14. It is a hard, brittle crystalline solid with a blue-grey metallic luster, and is a tetravalent metalloid and semiconductor. It is a member of group 14 in the periodic table: carbon is above it; and germanium, tin, lead, and flerovium are below it. It is relatively unreactive. Because of its high chemical affinity for oxygen, it was not until 1823 that Jöns Jakob Berzelius was first able to prepare it and characterize it in pure form.

Silicon dioxide

Silicon dioxide, also known as silica, is an oxide of silicon with the chemical formula , most commonly found in nature as quartz. In many parts of the world, silica is the major constituent of sand. Silica is one of the most complex and most abundant families of materials, existing as a compound of several minerals and as a synthetic product. Notable examples include fused quartz, fumed silica, silica gel, opal and aerogels. It is used in structural materials, microelectronics (as an electrical insulator), and as components in the food and pharmaceutical industries.

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Structurally relaxed models of the Si(001)-SiO2 interface

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