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 50 条
  • [21] First-principles study of initial growth of GaXO layer on GaAs-β2(2 x 4) surface and interface passivation by F
    Wang, Weichao
    Xiong, Ka
    Wallace, Robert M.
    Cho, Kyeongjae
    JOURNAL OF APPLIED PHYSICS, 2011, 110 (10)
  • [22] First-principles study of O2 adsorption on the α-U(001) surface
    Nie, J. L.
    Ao, L.
    Zu, X. T.
    Gao, H.
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2014, 75 (01) : 130 - 135
  • [23] First-Principles Study of H2 Adsorption on Mo(001) Surface
    Huang Duohui
    Yang Junsheng
    RARE METAL MATERIALS AND ENGINEERING, 2011, 40 (03) : 438 - 442
  • [24] First-Principles Investigation of （001） Surface of TiO2
    张华
    戴松元
    王孔嘉
    Plasma Science & Technology, 2004, (05) : 2467 - 2474
  • [25] First-principles investigation of (001) surface of TiO2
    Zhang, H
    Dai, SY
    Wang, KJ
    PLASMA SCIENCE & TECHNOLOGY, 2004, 6 (05) : 2467 - 2474
  • [26] First-principles study of the lattice dynamics of c(2 x 2)-CO on Cu(001)
    Ortigoza, Marisol Alcantara
    Rahman, Talat S.
    Heid, Rolf
    Bohnen, Klaus-Peter
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (22)
  • [27] First-principles investigation of CO adsorption on Pt/Ge(001)-(4 x 2)
    Krivosheeva, A. V.
    Sanna, S.
    Schmidt, W. G.
    COMPUTATIONAL MATERIALS SCIENCE, 2010, 49 (04) : 895 - 898
  • [28] First-principles investigation on initial stage of 2H-SiC(001) surface oxidation
    VIGNOLES L Gérard
    GUETTE Alain
    Science Bulletin, 2009, (09) : 1487 - 1494
  • [29] Surface Structure and Electronic Property of InP(001)-(2x1)S Surface: A First-Principles Study
    Li Deng-Feng
    Xiao Hai-Yan
    Xue Shu-Wen
    Yang Li
    Zu Xiao-Tao
    CHINESE PHYSICS LETTERS, 2010, 27 (04)
  • [30] First-principles investigation on initial stage of 2H-SiC(001) surface oxidation
    Wang JunJie
    Zhang LiTong
    Zeng QingFeng
    Gerard, Vignoles L.
    Alain, Guette
    CHINESE SCIENCE BULLETIN, 2009, 54 (09): : 1487 - 1494
12345