Atomic structure of SiO2 at SiO2/Si interfaces

被引：6

作者：

Hirose, K

Nohira, H

Sakano, K

Hattori, T

机构：

[1] Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2298510, Japan

[2] Musashi Inst Technol, Setagaya Ku, Tokyo 1588557, Japan

来源：

APPLIED SURFACE SCIENCE | 2000年 / 166卷 / 1-4期

关键词：

SiO2; SiO2/Si interface; transition layer; molecular orbital calculation; DV-X alpha method;

D O I：

10.1016/S0169-4332(00)00469-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The valence-band and O 2s core-level spectra of ultrathin (about 1 nm) SiO2 layers formed in the initial stages of the oxidation of Si(100) substrates were measured by high-resolution X-ray photoelectron spectroscopy (XPS), and the energy difference between the bonding states in the valence-band and the core-level was found to be larger than the corresponding difference for the bulk SiO2. The energy difference between the top of the valence-band and the core-level was also found to be larger than that for the bulk SiO2. From the first-principle molecular orbital (MO) calculations for SiO2 model clusters, (Si5O16H12), it was concluded that the atomic structure of SiO2 at the SiO2/Si interfaces is characterized by a narrow intertetrahedral bond angle, about 135 degrees. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：455 / 459

页数：5