First-principles study on energetics of cBN(001) reconstructed surfaces

Jun Yamauchi, Masaru Tsukada, Satoshi Watanabe, Osamu Sugino

研究成果: Article査読

51 被引用数 (Scopus)

抄録

Total energies of various reconstructed configurations of cubic boron nitride (001) surfaces are studied systematically by the local density functional approach with ultrasoft pseudopotentials. Stable phases as a function of nitrogen chemical potential are predicted theoretically. Furthermore, we examine the validity of the electron counting rule, which plays an important role in the GaAs study, and obtain the supplemental factors to determine stable surface structures. The difference between cBN and GaAs surfaces is also discussed.

本文言語English
ページ(範囲)L1037-L1041
ジャーナルSurface Science
341
3
DOI
出版ステータスPublished - 1995 11 10
外部発表はい

ASJC Scopus subject areas

  • 凝縮系物理学
  • 表面および界面
  • 表面、皮膜および薄膜
  • 材料化学

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