Modeling of SiO2/Si(100) interface structure by using extended -Stillinger-Weber potential

被引：38

作者：

Watanabe, T

Ohdomari, I

机构：

[1] Waseda Univ, Sch Sci & Engn, Shinjuku Ku, Tokyo 1698555, Japan

[2] Waseda Univ, Kagami Mem Lab Mat Sci & Technol, Shinjuku Ku, Tokyo 1690051, Japan

来源：

THIN SOLID FILMS | 1999年 / 343卷

关键词：

computer simulation; interfaces; silicon; silicon oxide; oxidation;

D O I：

10.1016/S0040-6090(98)01700-3

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Large scale modeling of ultrathin SiO2 films on Si(100) surfaces has been performed using our original potential, which was developed to simulate both Si and SiO2 crystal systems. A SiO2 film was formed by layer-by-layer insertion of oxygen atoms into Si-Si bonds in a Si wafer from one of the surfaces. The thickness of the obtained SiO2 layer was about 17.2 Angstrom, and it showed the presence of the structural transition layer; the average Si-O-Si bond angle becomes smaller in the region closer to the SiO2/Si interface. The peak of Si-O-Si bond angle distribution is shifted toward a narrower angle from the equilibrium angle of 144 degrees, in agreement with experimental results reported so far. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

引用

页码：370 / 373

页数：4

共 14 条

[1] EVALUATION OF SIO2/(001)SI INTERFACE ROUGHNESS USING HIGH-RESOLUTION TRANSMISSION ELECTRON-MICROSCOPY AND SIMULATION
AKATSU, H
SUMI, Y
OHDOMARI, I
[J]. PHYSICAL REVIEW B, 1991, 44 (04): : 1616 - 1621
[2] IDENTIFICATION OF STRAINED SILICON LAYERS AT SI-SIO2 INTERFACES AND CLEAN SI SURFACES BY NONLINEAR-OPTICAL SPECTROSCOPY
DAUM, W
KRAUSE, HJ
REICHEL, U
IBACH, H
[J]. PHYSICAL REVIEW LETTERS, 1993, 71 (08) : 1234 - 1237
[3] PROCESS DEPENDENCE OF THE SIO2/SI(100) INTERFACE TRAP DENSITY OF ULTRATHIN SIO2-FILMS
FUKUDA, H
YASUDA, M
IWABUCHI, T
KANEKO, S
UENO, T
OHDOMARI, I
[J]. JOURNAL OF APPLIED PHYSICS, 1992, 72 (05) : 1906 - 1911
[4] ATOMIC-STRUCTURE AT THE (111) SI-SIO2 INTERFACE
HAIGHT, R
FELDMAN, LC
[J]. JOURNAL OF APPLIED PHYSICS, 1982, 53 (07) : 4884 - 4887
[5] Chemical structures of the SiO2/Si interface
Hattori, T
[J]. CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 1995, 20 (04) : 339 - 382
[6] HIROSE K, 1999, IN PRESS PHYS REV B, V59
[7] ISHIKAWA K, 1995, INT C SOL STAT DEV M, P500
[8] KAGESHIMA H, 1997, INT C PHYS SEM WORLD, P903
[9] Structure and electronic states of ultrathin SiO2 thermally grown on Si(100) and Si(111) surfaces
Miyazaki, S
Nishimura, H
Fukuda, M
Ley, L
Ristein, J
[J]. APPLIED SURFACE SCIENCE, 1997, 113 : 585 - 589
[10] 1.5 nm direct-tunneling gate oxide Si MOSFET's
Momose, HS
Ono, M
Yoshitomi, T
Ohguro, T
Nakamura, S
Saito, M
Iwai, H
[J]. IEEE TRANSACTIONS ON ELECTRON DEVICES, 1996, 43 (08) : 1233 - 1242

← 1 2 →