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首页> 外文期刊>Physical review >Identification of Zn-vacancy-hydrogen complexes in ZnO single crystals: A challenge to positron annihilation spectroscopy
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Identification of Zn-vacancy-hydrogen complexes in ZnO single crystals: A challenge to positron annihilation spectroscopy

机译：ZnO单晶中锌空位氢络合物的鉴定：对正电子：没光谱法的挑战

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摘要

A systematic study of various, nominally undoped ZnO single crystals, either hydrothermally grown (HTG) or melt grown (MG), has been performed. The crystal quality has been assessed by x-ray diffraction, and a comprehensive estimation of the detailed impurity and hydrogen contents by inductively coupled plasma mass spectrometry and nuclear reaction analysis, respectively, has been made also. High precision positron lifetime experiments show that a single positron lifetime is observed in all crystals investigated, which clusters at 180-182 ps and 165-167 ps for HTG and MG crystals, respectively. Furthermore, hydrogen is detected in all crystals in a bound state with a high concentration (at least 0.3 at. %), whereas the concentrations of other impurities are very small. From ab initio calculations it is suggested that the existence of Zn-vacancy-hydrogen complexes is the most natural explanation for the given experimental facts at present. Furthermore, the distribution of H at a metal/ZnO interface of a MG crystal, and the H content of a HTG crystal upon annealing and time afterward has been monitored, as this is most probably related to the properties of electrical contacts made at ZnO and the instability in p-type conductivity observed at ZnO nanorods in literature. All experimental findings and presented theoretical considerations support the conclusion that various types of Zn-vacancy-hydrogen complexes exist in ZnO and need to be taken into account in future studies, especially for HTG materials.
机译：已经对各种标称未掺杂的ZnO单晶进行了系统的研究，无论它们是水热生长（HTG）还是熔融生长（MG）。已经通过X射线衍射评估了晶体质量，并且还分别通过电感耦合等离子体质谱法和核反应分析法对详细的杂质和氢含量进行了综合评估。高精度正电子寿命实验表明，在所有研究的晶体中观察到单个正电子寿命，对于HTG和MG晶体，它们分别聚集在180-182 ps和165-167 ps的范围内。此外，在结合态的所有晶体中都以高浓度（至少0.3原子％）检测到氢，而其他杂质的浓度非常小。从头算可以看出，对于给定的实验事实，锌-空位-氢络合物的存在是最自然的解释。此外，已经监测了MG晶体的金属/ ZnO界面上的H分布以及退火后及之后的时间中HTG晶体的H含量，因为这很可能与在ZnO和文献中在ZnO纳米棒上观察到的p型电导率的不稳定性。所有的实验结果和提出的理论考虑都支持以下结论：ZnO中存在各种类型的Zn-空位-氢络合物，在未来的研究中，尤其是对于HTG材料，需要将其考虑在内。

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  • 来源
    《Physical review》 |2009年第11期|588-602|共15页
  • 作者

    G. Brauer; W. Anwand; D. Grambole; J. Grenzer; W. Skorupa; J. Cizek; J. Kuriplach; I. Prochazka; C. C. Ling; C. K. So; D. Schulz; D. Klimm;

  • 作者单位

    Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden, Germany;

    Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden, Germany;

    Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden, Germany;

    Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden, Germany;

    Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden, Germany;

    Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague, Czech Republic;

    Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague, Czech Republic;

    Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holesovickach 2, CZ-180 00 Prague, Czech Republic;

    Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong, People's Republic of China;

    Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong, People's Republic of China;

    Institut fuer Kristallzuechtung, Max-Born-Str. 2, D-12489 Berlin, Germany;

    Institut fuer Kristallzuechtung, Max-Born-Str. 2, D-12489 Berlin, Germany;

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  • 关键词

    positron annihilation;

    机译：正电子an灭;

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