Theoretical investigation on the structural properties of ZnO grown on sapphire

DOI Web Site 被引用文献1件 参考文献13件
  • Fujiwara Katsutoshi
    Department of Applied Mathematics and Physics, Tottori University, Japan
  • Ishii Akira
    Department of Applied Mathematics and Physics, Tottori University, Japan
  • Ebisuzaki Toshikazu
    Computational Astrophysics Laboratory, RIKEN, Japan
  • Abe Tomoki
    Department of Electrical and Electronic Engineering, Tottori University, Japan
  • Ando Koshi
    Department of Electrical and Electronic Engineering, Tottori University, Japan

抄録

We have investigated the growth mechanisms of ZnO on the c-plane sapphire(0001) substrates by the first-principles calculation. The first-principles total energy calculations of a sapphire slab with an isolated zinc adatom and an isolated oxygen adatom explain the experimental results such that the in-plane alignment between the ZnO and the sapphire is [10-10]ZnO//[11-20] sapphire. Moreover, from the experimental and theoretical results of GaN/sapphire growth mechanisms, the change of the polarity is very important for the migration barrier energy. The relative total energies for the isolated zinc adatom on the sapphire(0001) surface is very small while that for the isolated oxygen adatom on the sapphire(0001) surface is very large. When analogizing these relative energies with the experimental and theoretical results of GaN/sapphire growth mechanisms, we expect that the polarity of grown ZnO film on the sapphire substrate is the O-polarity. And the polarity of the direct growth of ZnO on the sapphire (0001) substrate does not change from the O-polarity under any growth conditions without using the low-temperature amorphous ZnO buffer layer. [DOI: 10.1380/ejssnt.2006.544]

収録刊行物

被引用文献 (1)*注記

もっと見る

参考文献 (13)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ