First-principles study of GaAs(001)-β2(2 x 4) surface oxidation

被引：12
作者：
Wang, Weichao [1 ]
Lee, Geunsik [2 ]
Huang, Min [2 ]
Wallace, Robert M. [1 ,2 ]
Cho, Kyeongjae [1 ,2 ]
机构：
[1] Univ Texas Dallas, Dept Mat Sci & Engn, Richardson, TX 75080 USA
[2] Univ Texas Dallas, Dept Phys, Richardson, TX 75080 USA
来源：
MICROELECTRONIC ENGINEERING | 2011年 / 88卷 / 12期
关键词：
Surface oxidation; Fermi energy pinning; Dangling bonds and bond saturation; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; RECONSTRUCTIONS; SPECTROSCOPY; GAAS(100)-(2X4); METALS; OXYGEN;
D O I：
10.1016/j.mee.2009.11.006
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
Oxygen atom adsorption on GaAs(0 0 1)-beta 2(2 x 4) during initial surface oxidation is studied by density functional theory (DFT). The results show that one or two oxygen atom adsorption at back-bond sites satisfy the bond saturation conditions leading to no effect on the surface gap states. However, for an oxygen replacement of an As dimer atom at trough site or row site As dimer atoms, an As-As bond is broken. Mid gap states are produced leading to the Fermi level pining due to the unsaturated As dangling bonds. Published by Elsevier B.V.
引用
收藏
页码：3419 / 3423
页数：5
相关论文
共 18 条
  • [11] ENERGETICS OF GAAS(100)-(2X4) AND GAAS(100)-(4X2) RECONSTRUCTIONS
    NORTHRUP, JE
    FROYEN, S
    [J]. PHYSICAL REVIEW LETTERS, 1993, 71 (14) : 2276 - 2279
  • [12] STRUCTURE OF GAAS(001) SURFACES - THE ROLE OF ELECTROSTATIC INTERACTIONS
    NORTHRUP, JE
    FROYEN, S
    [J]. PHYSICAL REVIEW B, 1994, 50 (03): : 2015 - 2018
  • [13] Anger electron spectroscopy analysis of the first stages of thermally stimulated oxidation of GaAs(100)
    Passeggi, MCG
    Vaquila, I
    Ferron, J
    [J]. APPLIED SURFACE SCIENCE, 1998, 133 (1-2) : 65 - 72
  • [14] IN-SITU FABRICATED GA2O3-GAAS STRUCTURES WITH LOW INTERFACE RECOMBINATION VELOCITY
    PASSLACK, M
    HONG, M
    SCHUBERT, EF
    KWO, JR
    MANNAERTS, JP
    CHU, SNG
    MORIYA, N
    THIEL, FA
    [J]. APPLIED PHYSICS LETTERS, 1995, 66 (05) : 625 - 627
  • [15] SCHOTTKY-BARRIER HEIGHTS AND THE CONTINUUM OF GAP STATES
    TERSOFF, J
    [J]. PHYSICAL REVIEW LETTERS, 1984, 52 (06) : 465 - 468
  • [16] DESTABILIZATION OF GAAS(100) RECONSTRUCTIONS BY ADSORBED OXYGEN
    VERHEIJ, LK
    FREITAG, MK
    WIEGERSHAUS, F
    [J]. SURFACE SCIENCE, 1995, 342 (1-3) : 47 - 54
  • [17] Electronic properties of adsorbates on GaAs(001)-c(2x8)/(2x4)
    Winn, Darby L.
    Hale, Michael J.
    Grassman, Tyler J.
    Sexton, Jonathan Z.
    Kummel, Andrew C.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (13)
  • [18] Direct and indirect causes of Fermi level pinning at the SiO/GaAs interface
    Winn, Darby L.
    Hale, Michael J.
    Grassman, Tyler J.
    Kummel, Andrew C.
    Droopad, Ravi
    Passlack, Matthias
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (08)
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