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Nucleation and first-stage growth processes of extrinsic defects in GaAs triggered by self-interstitials

机译:自填隙体引发的GaAs外在缺陷的成核和第一阶段生长过程

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摘要

The growth process of small self-interstitial clusters I_n (n≤7) in crystalline GaAs has been addressed by semi-empirical tight-binding molecular-dynamics technique. The I_n ground-state structures have been found among many possible choices of topological properties and stoichiometric compositions. The stable structure have been fully characterised concerning the structural, electronic, energetic, and elastic properties; some remarkable findings emerged concerning, among the others, the stability scenario of the ground-state structures, the possible low-energy reaction paths involved in the growth process, the electrostatic and the elastic capture volumes and the Fermi-level pinning. It is demonstrated that compact geometries are no longer energetically favoured for n≥5 and that the I_n growth proceeds via capture processes involving either isolated interstitials or di-interstitials. An extended pentainterstitial (I_5) ground-state structure has been identified as the possible core-basic structure of extrinsic linear defects along the {111} direction of the GaAs lattice.
机译:半经验紧密结合分子动力学技术解决了晶体GaAs中小自填隙簇I_n(n≤7)的生长过程。已经在拓扑性质和化学计量组成的许多可能选择中发现了In基态结构。关于结构,电子,能量和弹性特性,已经对稳定结构进行了充分表征。关于基态结构的稳定性,生长过程中可能涉及的低能反应路径,静电和弹性俘获量以及费米能级钉扎等方面,出现了一些非凡的发现。已经证明,n≥5不再在能量上有利于紧凑的几何形状,并且I_n增长是通过涉及孤立间隙或双间隙的捕获过程进行的。扩展的Penstisterstitial(I_5)基态结构已被确定为沿着GaAs晶格的{111}方向的非本征线性缺陷的可能的核心基础结构。

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  • 来源
    《Physical review》 |2009年第17期|174113.1-174113.13|共13页
  • 作者

    F. Gala; G. Zollo;

  • 作者单位

    Dipartimento di Energetica, Universitd di Roma 'La Sapienza' and Consorzio Nazionale Interuniversitario per le Scienze Fisiche delta Materia (CNISM), Via A. Scarpa 14-16, 00161 Rome, Italy;

    Dipartimento di Energetica, Universitd di Roma 'La Sapienza' and Consorzio Nazionale Interuniversitario per le Scienze Fisiche delta Materia (CNISM), Via A. Scarpa 14-16, 00161 Rome, Italy;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Ⅲ-Ⅴ semiconductors;

    机译:Ⅲ-Ⅴ族半导体;

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