Effect of orientation on the band structure of C58BN hetero-fullerenes in FCC solid phase

Keivan Esfarjani, Kaoru Ohno, Yoshiyuki Kawazoe, Bing Lin Gu

研究成果: Article査読

11 被引用数 (Scopus)

抄録

Using an all-electron mixed-basis approach and within the local density approximation, the electronic structure of C58BN hetero-fullerenes in the solid fee phase has been calculated as a function of their orientation. We study the three cases where the boron-nitrogen pair is oriented along [1 0 0], [1 1 0] and [1 1 1] directions, and discuss the stability and the band structure of three 3 systems.

本文言語English
ページ(範囲)539-542
ページ数4
ジャーナルSolid State Communications
97
6
DOI
出版ステータスPublished - 1996 2

ASJC Scopus subject areas

  • 化学 (全般)
  • 凝縮系物理学
  • 材料化学

フィンガープリント

「Effect of orientation on the band structure of C<sub>58</sub>BN hetero-fullerenes in FCC solid phase」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル