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Optoelectronic properties of Mg doping GaN nanowires

机译:镁掺杂GaN纳米线的光电性能

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摘要

To investigate the influences of Mg doping and different doping sites on the electronic structures and optoelectronic properties of GaN nanowires, models of GaN, GaN(Mg)-Sur, GaN(Mg)-Sub and GaN(Mg)-Cor are built. Based on first-principles calculation, the formation energy, atomic structure, electronic structure, and optical properties of GaN nanowires are obtained. For the Mg doped nanowires, Mg atom is easier to substitute the Ga atom in the core of GaN nanowires, named as GaN(Mg)-Cor. Mg atom makes the lattice around the substituted atom distorted. In addition, the bandgap of Mg doped materials is smaller than the undoped, which results from the bandgap narrowing effect. After Mg impurity introducing, there turns up a new peak at 2.5 eV in the imaginary part of dielectric function curves, the absorption curves and the reflection curves. Besides, the other peaks of them shift to lower energy.
机译:为了研究Mg掺杂和不同掺杂位点对GaN纳米线的电子结构和光电性能的影响,建立了GaN,GaN(Mg)-Sur,GaN(Mg)-Sub和GaN(Mg)-Cor模型。基于第一性原理计算,获得了GaN纳米线的形成能,原子结构,电子结构和光学性质。对于掺杂了Mg的纳米线,Mg原子更容易替代GaN纳米线核心中的Ga原子,即GaN(Mg)-Cor。镁原子使取代原子周围的晶格变形。另外,Mg掺杂材料的带隙小于未掺杂的,这是由于带隙变窄的结果。引入Mg杂质后,介电函数曲线,吸收曲线和反射曲线的虚部在2.5 eV处出现一个新峰。此外,它们的其他峰值转移到较低的能量。

著录项

  • 来源
    《Optical and quantum electronics》 |2016年第11期|493.1-493.12|共12页
  • 作者单位

    School of Electronic and Optical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China;

    School of Electronic and Optical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China;

    School of Electronic and Optical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China;

    School of Electronic and Optical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China;

    School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China;

    School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    First-principles; Mg doping; GaN nanowires; Electronic structure;

    机译:第一原理;镁掺杂;GaN纳米线;电子结构;

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