Simulation of oxygen vacancies at the Si-SiO2 interface

被引:10
作者
Carniato, S [1 ]
Boureau, G [1 ]
Harding, J [1 ]
机构
[1] HARWELL LAB,THERET STUDIES DEPT AEA IND TECHNOL,DIDCOT OX11 0RA,OXON,ENGLAND
来源
RADIATION EFFECTS AND DEFECTS IN SOLIDS | 1995年 / 134卷 / 1-4期
关键词
Monte-Carlo; interface; silicon; oxidation; vacancy;
D O I
10.1080/10420159508227209
中图分类号
TL [原子能技术]; O571 [原子核物理学];
学科分类号
0827 ; 082701 ;
摘要
The Si(001)/SiO2 (tridymite) interface has been simulated using a Monte-Carlo method. It has been shown that in this way reasonable values of angles and interatomic distances are obtained. The oxygen defect formation energy dependence with different vacancy sites has been studied. Because of coulombic interactions, the formation of vacancies is much easier in the vicinity of the interface.
引用
收藏
页码:179 / 183
页数:5
相关论文
共 11 条
  • [1] CARNIATO S, UNPUB
  • [2] MICROSCOPIC STRUCTURE OF THE SIO2/SI INTERFACE
    HIMPSEL, FJ
    MCFEELY, FR
    TALEBIBRAHIMI, A
    YARMOFF, JA
    HOLLINGER, G
    [J]. PHYSICAL REVIEW B, 1988, 38 (09): : 6084 - 6096
  • [3] TRUNCATION OF COULOMBIC INTERACTIONS IN COMPUTER-SIMULATIONS OF LIQUIDS
    LINSE, P
    ANDERSEN, HC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 3027 - 3041
  • [4] STUDY OF THE INTERFACIAL STRUCTURE BETWEEN SI(100) AND THERMALLY GROWN SIO2 USING A BALL-AND-SPOKE MODEL
    OHDOMARI, I
    AKATSU, H
    YAMAKOSHI, Y
    KISHIMOTO, K
    [J]. JOURNAL OF APPLIED PHYSICS, 1987, 62 (09) : 3751 - 3754
  • [5] OURMADZ A, 1987, PHYS REV LETT, V5, P213
  • [6] PANTELIDES ST, 1978, PHYSICS SIO2 ITS INT
  • [7] STIXRUDE L, 1988, PHYS CHEM MINER, V16, P199, DOI 10.1007/BF00203204
  • [8] ISOLATED AND EMBEDDED-CLUSTER MODELING OF THE OXYGEN VACANCY IN ALPHA-QUARTZ
    SULIMOV, VB
    PISANI, C
    CORA, F
    SOKOLOV, VO
    [J]. SOLID STATE COMMUNICATIONS, 1994, 90 (08) : 511 - 514
  • [9] SZE SM, 1981, PHYSICS SEMICONDUCTO
  • [10] EMPIRICAL INTERATOMIC POTENTIAL FOR SILICON WITH IMPROVED ELASTIC PROPERTIES
    TERSOFF, J
    [J]. PHYSICAL REVIEW B, 1988, 38 (14): : 9902 - 9905