Oxygen diffusion through the disordered oxide network during silicon oxidation

被引：96

作者：

Bongiorno, A ^{[1
]}

Pasquarello, A

机构：

[1] Ecole Polytech Fed Lausanne, ITP, CH-1015 Lausanne, Switzerland

[2] PHB Ecublens, Inst Romand Rech Numer Phys Mat, CH-1015 Lausanne, Switzerland

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 88卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.88.125901

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

An atomic-scale description is provided for the long-range oxygen migration through the disordered SiO2 oxide during silicon oxidation. First-principles calculations, classical molecular dynamics, and Monte Carlo simulations are used in sequence to span the relevant length and time scales. The O-2 molecule is firmly identified as the transported oxygen species and is found to percolate through interstices without exchanging oxygen atoms with the network. The interstitial network for O-2 diffusion is statistically described in terms of its potential energy landscape and connectivity. The associated activation energy is found in agreement with experimental values.

引用

页码：4 / 125901

页数：4

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