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

Y. Kangawa, T. Ito

Research output: Contribution to conferencePaper

Abstract

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.

Original languageEnglish
Pages173-178
Number of pages6
Publication statusPublished - Dec 1 2000
Externally publishedYes
Event27th International Symposium on Compound Semiconductors - Monterey, CA, United States
Duration: Oct 2 2000Oct 5 2000

Other

Other27th International Symposium on Compound Semiconductors
CountryUnited States
CityMonterey, CA
Period10/2/0010/5/00

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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    Kangawa, Y., & Ito, T. (2000). A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities. 173-178. Paper presented at 27th International Symposium on Compound Semiconductors, Monterey, CA, United States.