Publication

Atomic processes during silicon oxidation: Oxygen diffusion through the oxide layer

Alfredo Pasquarello
2003
Conference Papers

Abstract

First-principles calculations, classical molecular dynamics, and Monte-Carlo simulations are used in sequence to describe at the atomic scale the long-range oxygen migration through the amorphous SiO 2 layer during silicon oxidation. The O 2 molecule is identified as the transported oxygen species and is found to percolate through interstices without exchanging oxygen atoms with the network. The effective activation energy for diffusion is found in agreement with experimental values.

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Alfredo Pasquarello
2003
Conference Papers

Abstract

Official source

Related concepts (32)

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.

Thermal oxidation

In microfabrication, thermal oxidation is a way to produce a thin layer of oxide (usually silicon dioxide) on the surface of a wafer. The technique forces an oxidizing agent to diffuse into the wafer at high temperature and react with it. The rate of oxide growth is often predicted by the Deal–Grove model. Thermal oxidation may be applied to different materials, but most commonly involves the oxidation of silicon substrates to produce silicon dioxide.

Oxygen

Oxygen is the chemical element with the symbol O and atomic number 8. It is a member of the chalcogen group in the periodic table, a highly reactive nonmetal, and an oxidizing agent that readily forms oxides with most elements as well as with other compounds. Oxygen is Earth's most abundant element, and after hydrogen and helium, it is the third-most abundant element in the universe. At standard temperature and pressure, two atoms of the element bind to form dioxygen, a colorless and odorless diatomic gas with the formula O2.

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