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首页> 外文期刊>Physical review >Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory
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Formation and destabilization of Ga interstitials in GaAsN: Experiment and theory

机译:GaAsN中Ga间隙的形成和失稳:实验和理论

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摘要

Using first-principles total energy calculations we have found complex defects induced by N incorporation in GaAsN. The formation energy of the Ga interstitial atom is very significantly decreased due to local effects within the defect complex. The stability of the Ga interstitials is further increased at surfaces. The present results suggest that the energetically favorable Ga interstitial atoms are much more abundant in GaAsN than the previously considered N defects, which have relatively large formation energies. Our synchrotron radiation core-level photoemission measurements support the computational results. The formation of harmful Ga interstitials should be reduced by incorporating large group IV B atoms in GaAsN.
机译:使用第一性原理的总能量计算,我们发现了由GaAsN中N掺入引起的复杂缺陷。由于缺陷复合物内的局部效应,Ga间隙原子的形成能大大降低。 Ga间隙的稳定性在表面处进一步提高。目前的结果表明,与先前考虑的具有较大形成能的N缺陷相比,GaAsN中能量上有利的Ga间隙原子要丰富得多。我们的同步辐射核心水平的光发射测量结果支持了计算结果。应通过在GaAsN中掺入较大的IV B B原子来减少有害的Ga间隙的形成。

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  • 来源
    《Physical review》 |2012年第19期|195205.1-195205.7|共7页
  • 作者单位

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland,Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden;

    Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere, Finland;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

    MAX-lab, Lund University, SE-221 00 Lund, Sweden;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

    Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden;

    loffe Physical-Technical Institute of the Russian Academy of Sciences, St. Petersburg 194021, Russian Federation;

    Department of Theoretical Physics, Institute of Physics, Budapest University of Technology and Economics, Budafoki ut. 8, H-1111 Budapest, Hungary;

    Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden,Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-751210 Uppsala, Sweden;

    Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden,Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-751210 Uppsala, Sweden,Research Institute for Solid State Physics and Optics, Wigner Research Center for Physics, P.O. Box 49, H-1525 Budapest, Hungary;

    Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere, Finland;

    Department of Physics and Astronomy, University of Turku, Fl-20014 Turku, Finland;

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  • 正文语种 eng
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  • 关键词

    composition, segregation; defects and impurities; Ⅲ-Ⅴ semiconductors; Ⅲ-Ⅴ semiconductors;

    机译:组成;隔离;缺陷和杂质;Ⅲ-Ⅴ族半导体;Ⅲ-Ⅴ族半导体;

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