Atomistic simulation of Si/SiO2 interfaces

被引：11

作者：

Van Ginhoven, R. M. ^{[1
]}

Hjalmarson, H. P. ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2007年 / 255卷 / 01期

关键词：

silicon dioxide; DFT; silicon; interface; amorphous silica;

D O I：

10.1016/j.nimb.2006.11.022

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

Atomistic models of the S(100)/SiO2 interface were generated using a classical reactive force field, and subsequently optimized using density functional theory. The interfaces consist of amorphous oxide bound to crystalline silicon substrate. Each system has a sub-oxide layer of partially oxidized silicon atoms at the interface, and a distribution of oxygen-deficient centers in the oxide. Both periodic and slab configurations are considered. (c) 2006 Published by Elsevier B.V.

引用

页码：183 / 187

页数：5

共 15 条

[1] Atomistic model structure of the Si(100)-SiO2 interface from a synthesis of experimental data [J].