Ab initio studies of hydrogen-enhanced oxygen diffusion in silicon

被引：5
|
作者：
Capaz, RB
Assali, LVC
Kimerling, LC
Cho, K
Joannopoulos, JD
机构：
[1] Univ Fed Rio de Janeiro, Inst Fis, BR-21945970 Rio De Janeiro, RJ, Brazil
[2] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
[3] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA
[4] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
[5] MIT, Dept Phys, Cambridge, MA 02139 USA
来源：
BRAZILIAN JOURNAL OF PHYSICS | 1999年 / 29卷 / 04期
关键词：
D O I：
10.1590/S0103-97331999000400002
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A novel microscopic mechanism for hydrogen-enhanced oxygen diffusion in p-doped silicon is proposed. A path for joint diffusion of O and H is obtained from an ab-initio molecular dynamics "kick" simulation. The migration pathway consists of a two-step mechanism, with a maximum energy of 1.46 eV. This path represents a 0.54 eV reduction in the static barrier when compared with the diffusion of isolated O in Si, in excellent agreement with experiments.
引用
收藏
页码：611 / 615
页数：5
相关论文
共 50 条
  • [31] Ab initio study of the diffusion mechanisms of gallium in a silicon matrix
    K. Levasseur-Smith
    N. Mousseau
    The European Physical Journal B, 2008, 64 : 165 - 172
  • [32] Investigation of indium diffusion in strained silicon by ab initio calculation
    Young-Kyu Kim
    Bum-Goo Cho
    Soon-Yeol Park
    Taeyoung Won
    International Journal of Precision Engineering and Manufacturing, 2009, 10 : 99 - 102
  • [33] Ab-initio pseudopotential calculations of boron diffusion in silicon
    Windl, W
    Bunea, MM
    Stumpf, R
    Dunham, ST
    Masquelier, MP
    SI FRONT-END PROCESSING-PHYSICS AND TECHNOLOGY OF DOPANT-DEFECT INTERACTIONS, 1999, 568 : 91 - 96
  • [34] Ab initio study of the diffusion mechanisms of gallium in a silicon matrix
    Levasseur-Smith, K.
    Mousseau, N.
    EUROPEAN PHYSICAL JOURNAL B, 2008, 64 (02): : 165 - 172
  • [35] Investigation of Indium Diffusion in Strained Silicon by ab initio Calculation
    Kim, Young-Kyu
    Cho, Bum-Goo
    Park, Soon-Yeol
    Won, Taeyoung
    INTERNATIONAL JOURNAL OF PRECISION ENGINEERING AND MANUFACTURING, 2009, 10 (01) : 99 - 102
  • [36] Ab-initio pseudopotential calculations of phosphorus diffusion in silicon
    Liu, XY
    Windl, W
    Masquelier, MP
    SILICON FRONT-END JUNCTION FORMATION TECHNOLOGIES, 2002, 717 : 181 - 186
  • [37] Oxygen diffusion in silicon: The influence of hydrogen
    Ramamoorthy, M
    Pantelides, ST
    EARLY STAGES OF OXYGEN PRECIPITATION IN SILICON, 1996, 17 : 197 - 205
  • [38] Diffusion behavior of hydrogen in oxygen saturated and unsaturated plutonium dioxide: An ab initio molecular dynamics study
    Tang, Jun
    Qiu, Ruizhi
    Chen, Jinfan
    Ao, Bingyun
    JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 834
  • [39] Visualization of Hydrogen Diffusion in a Hydrogen-Enhanced Fatigue Crack Growth in Type 304 Stainless Steel
    Matsunaga, Hisao
    Noda, Hiroshi
    METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2011, 42A (09): : 2696 - 2705
  • [40] Ab Initio Hydrogen Dynamics and the Morphology of Voids in Amorphous Silicon
    Biswas, Parthapratim
    Limbu, Dil
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2021, 258 (09):
12345