Journal of Crystal Growth, Vol.248, 8-13, 2003
Structure and energetics of nitride surfaces under MOCVD growth conditions
We present a generalized phase diagram for GaN(0 0 0 1) surfaces in the presence of hydrogen. based on first-principles calculations. The results elucidate the energetic and structural properties of GaN surfaces under realistic growth conditions. The role of NH3 in stable growth of GaN and InGaN is discussed. (C) 2002 Elsevier Science B.V. All rights reserved.
Keywords:computer simulation;growth models;surface structure;metalorganic chemical vapor deposition;nitrides;semiconducting III-V materials