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.
|出版ステータス||出版済み - 12 1 2000|
|イベント||27th International Symposium on Compound Semiconductors - Monterey, CA, 米国|
継続期間: 10 2 2000 → 10 5 2000
|その他||27th International Symposium on Compound Semiconductors|
|Period||10/2/00 → 10/5/00|
All Science Journal Classification (ASJC) codes