Water-saturated Si(100)-(2x1):: Kinetic Monte Carlo simulations of thermal oxygen incorporation

被引：21

作者：

Estève, A

Chabal, YJ

Raghavachari, K

Weldon, MK

Queeney, KT

Rouhani, MD

机构：

[1] Lab Anal & Architecture Syst, F-31077 Toulouse, France

[2] Agere Syst, Mat Res, Murray Hill, NJ 07974 USA

[3] Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA

[4] Univ Toulouse 3, Phys Solides Lab, F-31062 Toulouse, France

来源：

JOURNAL OF APPLIED PHYSICS | 2001年 / 90卷 / 12期

关键词：

D O I：

10.1063/1.1417994

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

An atomic scale model of thermal oxidation of Si(100) has been developed based on a kinetic Monte Carlo approach. This method makes it possible to analyze the effects of elementary mechanistic steps of oxidation on macroscopic surfaces. The initial thermal decomposition of chemisorbed hydroxyl groups resulting from water adsorption on Si(100)-(2x1) is investigated by utilizing extensive IR data and ab initio calculations. (C) 2001 American Institute of Physics.

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页码：6000 / 6005

页数：6

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