Pore Symmetry Dependence of Band Gap of Nanoscale Periodic Porous Graphites with Differenet Pore Shapes.

DOI Web Site Web Site 参考文献14件
  • Takeda Hiroyuki
    Department of Electronic Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871, Japan
  • Kajii Hirotake
    Department of Electronic Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871, Japan
  • Yoshino Katsumi
    Department of Electronic Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871, Japan

この論文をさがす

抄録

The electronic energy states of nanoscale periodic porous graphites with different shapes of pores with acene and phenanthrene edge structures are theoretically studied using the two-dimensional (2D) tight-binding crystal orbital method in the framework of the Huckel approximation. The behaviors of the band gaps of the periodic porous graphite depend markedly not on the shape of pores but on the symmetry of the pores, and some of them for the periodic porous graphite with symmetric pores have the exact periodicity as a function of the separation between neighboring pores. Moreover, it has been originally thought that the separation of charge and spin in two dimensions (2D) cannot appear without transition metals; however, the appearance of the separation of charge and spin has been theoretically demonstrated in nanoscale periodic porous graphite with an odd number of atoms in the unit cell.

収録刊行物

参考文献 (14)*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