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THEORETICAL INVESTIGATION OF EXTENDED DEFECTS IN GROUP-HI NITRIDES

机译：HI族氮化物的扩展缺陷的理论研究

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摘要

We have investigated two types of extended defects commonly found in A1N, GaN and InN films using density-functional techniques. First, basal-plane stacking faults have been studied for all three compounds. Stacking-fault energies were found to be largest in A1N and smallest in GaN consistent with density-functional results for their wurtzite/zinc-blende energy differences. In addition, the 4H and 6H structures were found to have lower energies than zinc blende for all three compounds. Second, we have investigated the electronic structure and formation energy for an edge dislocation in A1N. The full-core dislocation structure was found to have a filled electronic level approximately 0.55 eV above the valence-band edge and an empty level 1.4 eV below the conduction-band edge. An open-core structure was found to have filled and empty electronic levels closer to the middle of the energy gap. Formation energies for these two geometries suggest that the full-core structure would be expected to form in p-type material whereas both are expected in H-type material.
机译：我们使用密度泛函技术研究了在AlN，GaN和InN薄膜中常见的两种扩展缺陷。首先，已经研究了所有三种化合物的基面堆积断层。发现堆垛层错能量在AlN中最大，而在GaN中最小，这与纤锌矿/闪锌矿能量差的密度函数结果一致。此外，发现对于所有这三种化合物，4H和6H结构的能量均低于锌混合物。其次，我们研究了AlN中边缘位错的电子结构和形成能。发现全芯位错结构具有在价带边缘以上约0.55eV的填充电子能级和在导带边缘以下约1.4eV的空能级。发现开芯结构在接近能隙中间的位置填充了电子空位。这两种几何形状的形成能表明，预期在p型材料中形成全芯结构，而在H型材料中均形成全芯结构。

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  • 来源
    《Nitride semiconductors》|1997年|795-804|共6页
  • 会议地点 Boston MA(US)
  • 作者

    A.F. WRIGHT;

  • 作者单位

    Semiconductor Material and Device Sciences Department, Sandia National Laboratories, Albuquerque, NM 87185-1415;

  • 会议组织
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 材料;
  • 关键词

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