Abstract
To investigate the influences of Mg do** and different do** 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.
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Acknowledgments
This work is sponsored by the Natural Science Foundation of Jiangsu Province-China(Grant No. BK20130767), the Fundamental Research Funds for the Central Universities-China(Grant No. 30916011206), the Six Talent Peaks Project in Jiangsu Province-China(Grant No. 2015-XCL-008) and the Research and Innovation Plan for Graduate Students of Jiangsu Higher Education Institution, China (Grant No. KYLX16_0425).
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Kong, Y., Liu, L., ** GaN nanowires. Opt Quant Electron 48, 493 (2016). https://doi.org/10.1007/s11082-016-0763-z
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DOI: https://doi.org/10.1007/s11082-016-0763-z