An empirical potential approach to wurtzite-zinc blende structural stability of semiconductors

Tomonori Ito, Yoshihiro Kangawa

研究成果: Contribution to journalArticle査読

20 被引用数 (Scopus)

抄録

Wurtzite (W)-zinc blende (ZB) structural stability of semiconductors is systematically investigated based on a newly developed empirical potential, which incorporates electrostatic energies due to bond charges and ionic charges. Using the empirical potential, the system energies are calculated for bulk and various heterostructures such as GaN(0 0 0 1)/GaAs(1 1 1) and GaN(0 0 0 1)/AlAs(1 1 1). The calculated results predict that W-structured GaN is more stable on AlAs(1 1 1) compared to that on GaAs(1 1 1). The W-ZB structural stability is discussed in terms of strain energy and electrostatic energy contributions. The calculated results imply that ionicity difference between thin film and substrate materials is crucial for understanding the W-ZB structural stability in heterostructures consisting of (0 0 0 1)-oriented W-structured and (1 1 1)-oriented ZB-structured semiconductors.

本文言語英語
ページ(範囲)149-153
ページ数5
ジャーナルJournal of Crystal Growth
235
1-4
DOI
出版ステータス出版済み - 2 2002
外部発表はい

All Science Journal Classification (ASJC) codes

  • 凝縮系物理学
  • 無機化学
  • 材料化学

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