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.
引用
收藏
页码：6000 / 6005
页数：6
相关论文
共 50 条
  • [31] THERMAL AMPLITUDES OF SURFACE ATOMS ON SI(111) 2X1 AND SI(001) 2X1
    ALERHAND, OL
    JOANNOPOULOS, JD
    MELE, EJ
    PHYSICAL REVIEW B, 1989, 39 (17): : 12622 - 12629
  • [32] ELECTRONIC EXCITATIONS ON SI(100)(2X1)
    FARRELL, HH
    STUCKI, F
    ANDERSON, J
    FRANKEL, DJ
    LAPEYRE, GJ
    LEVINSON, M
    PHYSICAL REVIEW B, 1984, 30 (02): : 721 - 725
  • [33] CS ADSORPTION ON SI(100)2X1
    PAPAGEORGOPOULOS, CA
    COUSTY, J
    RIWAN, R
    VACUUM, 1990, 41 (1-3) : 578 - 579
  • [34] (2X1)-]C(4X2) TRANSITION AT THE SI(100) SURFACE - A 1ST-PRINCIPLES-BASED MONTE-CARLO STUDY
    GRYKO, J
    ALLEN, RE
    PHYSICA B, 1994, 194 : 381 - 382
  • [35] BA DEPOSITION ON SI(100)2X1
    VLACHOS, D
    KAMARATOS, M
    PAPAGEORGOPOULOS, C
    SOLID STATE COMMUNICATIONS, 1994, 90 (03) : 175 - 181
  • [36] THE GROWTH OF AG ON SI(100)-2X1
    BORENSZTEIN, Y
    ALAMEH, R
    APPLIED SURFACE SCIENCE, 1993, 65-6 : 735 - 741
  • [37] Oxygen atoms on Si(100)-(2x1): Imaging with scanning tunneling microscopy
    Trenhaile, B. R.
    Agrawal, Abhishek
    Weaver, J. H.
    APPLIED PHYSICS LETTERS, 2006, 89 (15)
  • [38] VACANCY DIFFUSION ON SI(100)-(2X1)
    ZHANG, ZY
    CHEN, H
    BOLDING, BC
    LAGALLY, MG
    PHYSICAL REVIEW LETTERS, 1993, 71 (22) : 3677 - 3680
  • [39] THE FORMATION AND DECOMPOSITION OF WATER AND HYDROGEN ON GEX SI1-X(100)2X1
    SCHAEFER, JA
    BROUGHTON, JQ
    BEAN, JC
    FARRELL, HH
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1986, 39 (1-4) : 127 - 136
  • [40] Coverage-dependent thermal reactions of digermane on Si(100)-(2x1)
    Lin, D.-S.
    Huang, K.-H.
    Pi, T.-W.
    Wu, R.-T.
    Physical Review B: Condensed Matter, 54 (23):
12345