A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities

Y. Kangawa, T. Ito

研究成果: Contribution to conferencePaper査読

抄録

We proposed a new empirical interatomic potential for compound semiconductors applicable to estimation of subtle energy difference. The potential was devised to incorporate the interactions between atoms beyond 3rd neighbors by considering electrostatic contributions. The versatility of the potential was confirmed by the calculation of relative stabilities between wurtzite and zinc blende structures. Using the new potential, we also worked out the excess energies for InxGa1-xN/GaN and InxGa1-xN/InN in order to investigate thermodynamic stabilities. We found that the excess energy maximum drastically shifted toward x∼0.80 for InGaN/GaN and x∼0.10 for InGaN/InN due to the lattice constraint from the bottom layer in contrast with x∼0.50 for bulk.

本文言語英語
ページ173-178
ページ数6
出版ステータス出版済み - 12 1 2000
外部発表はい
イベント27th International Symposium on Compound Semiconductors - Monterey, CA, 米国
継続期間: 10 2 200010 5 2000

その他

その他27th International Symposium on Compound Semiconductors
国/地域米国
CityMonterey, CA
Period10/2/0010/5/00

All Science Journal Classification (ASJC) codes

  • 工学(全般)

フィンガープリント

「A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities」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