Microscopic origins of electron and hole stability in ZnO

被引:51
作者
Catlow, C. Richard A. [1 ]
Sokol, Alexey A. [1 ]
Walsh, Aron [1 ]
机构
[1] UCL, Dept Chem, London WC1H 0AJ, England
基金
英国工程与自然科学研究理事会;
关键词
ZINC-OXIDE; THIN-FILMS; N-TYPE; HYDROGEN; DEFECTS;
D O I
10.1039/c1cc10314h
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present a fundamental method to assess the doping limits of hetero-polar materials; applied to the case of ZnO, we show clearly that electrons are stable and holes are unstable under the limits of thermodynamic control.
引用
收藏
页码:3386 / 3388
页数:3
相关论文
共 28 条
  • [1] Alexandrov A. S., 1996, Polarons and Bipolarons
  • [2] ZnO diode fabricated by excimer-laser doping
    Aoki, T
    Hatanaka, Y
    Look, DC
    [J]. APPLIED PHYSICS LETTERS, 2000, 76 (22) : 3257 - 3258
  • [3] Bae HY, 1999, SENSOR ACTUAT B-CHEM, V55, P47, DOI 10.1016/S0925-4005(99)00038-6
  • [4] OPTICAL AND ELECTRICAL-PROPERTIES OF RADICAL BEAM GETTERING EPITAXY GROWN N-TYPE AND P-TYPE ZNO SINGLE-CRYSTALS
    BUTKHUZI, TV
    BUREYEV, AV
    GEORGOBIANI, AN
    KEKELIDZE, NP
    KHULORDAVA, TG
    [J]. JOURNAL OF CRYSTAL GROWTH, 1992, 117 (1-4) : 366 - 369
  • [5] Zinc oxide: A case study in contemporary computational solid state chemistry
    Catlow, C. Richard A.
    French, Samuel A.
    Sokol, Alexey A.
    Al-Sunaidi, Abdullah A.
    Woodley, Scott M.
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (13) : 2234 - 2249
  • [6] A COMPUTER MODELING STUDY OF DEFECT AND DOPANT STATES IN SNO2
    FREEMAN, CM
    CATLOW, CRA
    [J]. JOURNAL OF SOLID STATE CHEMISTRY, 1990, 85 (01) : 65 - 75
  • [7] Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
    Freysoldt, Christoph
    Neugebauer, Joerg
    Van de Walle, Chris G.
    [J]. PHYSICAL REVIEW LETTERS, 2009, 102 (01)
  • [8] THE MEANING OF THE OXYGEN 2ND-ELECTRON AFFINITY AND OXIDE POTENTIAL MODELS
    HARDING, JH
    PYPER, NC
    [J]. PHILOSOPHICAL MAGAZINE LETTERS, 1995, 71 (02) : 113 - 121
  • [9] Hydrogen multicentre bonds
    Janotti, Anderson
    Van de Walle, Chris G.
    [J]. NATURE MATERIALS, 2007, 6 (01) : 44 - 47
  • [10] p-type electrical conduction in ZnO thin films by Ga and N codoping
    Joseph, M
    Tabata, H
    Kawai, T
    [J]. JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1999, 38 (11A): : L1205 - L1207